Compounds, Active for PubChem BioAssay (Select 1919659) - PubChem Compound - NCBI

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Select item 1685114521.

an image of a chemical structure CID 168511452

(General Procedure M); US11731943, Example 20

MW:: 436.500
MF:: C₂₃H₂₈N₆O₃

IUPAC name:: 1-[4-(cyanomethyl)-1-[(1S)-2-hydroxy-1-phenylethyl]piperidin...

Create Date:: 2023-10-12

CID:: 168511452

Summary Similar Compounds Same Parent, Connectivity

Select item 1685114512.

an image of a chemical structure CID 168511451

(General Procedure M); US11731943, Example 19

MW:: 436.500
MF:: C₂₃H₂₈N₆O₃

IUPAC name:: 1-[4-(cyanomethyl)-1-[(1R)-2-hydroxy-1-phenylethyl]piperidin...

Create Date:: 2023-10-12

CID:: 168511451

Summary Similar Compounds Same Parent, Connectivity

Select item 1321016483.

an image of a chemical structure CID 132101648

SCHEMBL19568023; US11731943, Example 146; 1-[1-[[4-(3- chlorophenyl)phenyl]methyl]-4- (cyanomethyl)-4-piperidyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 517.000
MF:: C₂₈H₂₉ClN₆O₂

IUPAC name:: 1-[1-[[4-(3-chlorophenyl)phenyl]methyl]-4-(cyanomethyl)piper...

Create Date:: 2018-01-29

CID:: 132101648

Summary Similar Compounds Same Parent, Connectivity Mixture/Component Compounds

Select item 1321016174.

an image of a chemical structure CID 132101617

SCHEMBL19567989; VPUWNUPQWQOKKA-UHFFFAOYSA-N; US11731943, Example 98 ...

MW:: 590.600
MF:: C₂₇H₃₀F₄N₈O₃

IUPAC name:: 1-[4-(cyanomethyl)-1-[1-[3-fluoro-2-(trifluoromethyl)pyridin...

Create Date:: 2018-01-29

CID:: 132101617

Summary Similar Compounds Same Parent, Connectivity

Select item 1321016045.

an image of a chemical structure CID 132101604

SCHEMBL19567974; US11731943, Example 155; 1-[4-(cyanomethyl)-1-[[4-(4- ethylphenyl)phenyl]methyl]-4- piperidyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 510.600
MF:: C₃₀H₃₄N₆O₂

IUPAC name:: 1-[4-(cyanomethyl)-1-[[4-(4-ethylphenyl)phenyl]methyl]piperi...

Create Date:: 2018-01-29

CID:: 132101604

Summary Similar Compounds Same Parent, Connectivity

Select item 1321015956.

an image of a chemical structure CID 132101595

SCHEMBL19567965; US11731943, Example 66; 1-[1-[(3-chlorophenyl)methyl]- 4-(cyanomethyl)-4-piperidyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 431.500
MF:: C₂₃H₂₅N₇O₂

IUPAC name:: 1-[4-(cyanomethyl)-1-[(4-cyanophenyl)methyl]piperidin-4-yl]-...

Create Date:: 2018-01-29

CID:: 132101595

Summary Similar Compounds Same Parent, Connectivity

Select item 1321015947.

an image of a chemical structure CID 132101594

SCHEMBL19567964; US11731943, Example 69; 1-[4-(cyanomethyl)-1-[[3- (trifluoromethyl)phenyl]methyl]- 4-piperidyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 484.600
MF:: C₂₃H₂₈N₆O₄S

IUPAC name:: 1-[4-(cyanomethyl)-1-[(2-methylsulfonylphenyl)methyl]piperid...

Create Date:: 2018-01-29

CID:: 132101594

Summary Similar Compounds Same Parent, Connectivity

Select item 1321015928.

an image of a chemical structure CID 132101592

SCHEMBL19567962; LNUGRLOSLUCHHJ-UHFFFAOYSA-N; US11731943, Example 68 ...

MW:: 506.500
MF:: C₂₃H₂₅F₃N₆O₂S

IUPAC name:: 1-[4-(cyanomethyl)-1-[[4-(trifluoromethylsulfanyl)phenyl]met...

Create Date:: 2018-01-29

CID:: 132101592

Summary Similar Compounds Same Parent, Connectivity

Select item 1321015759.

an image of a chemical structure CID 132101575

SCHEMBL19567943; US11731943, Example 149; 1-[1-[[4-(5-chloro-3- thienyl)phenyl]methyl]-4- (cyanomethyl)-4-piperidyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 523.000
MF:: C₂₆H₂₇ClN₆O₂S

IUPAC name:: 1-[1-[[4-(5-chlorothiophen-3-yl)phenyl]methyl]-4-(cyanomethy...

Create Date:: 2018-01-29

CID:: 132101575

Summary Similar Compounds Same Parent, Connectivity

Select item 13210157410.

an image of a chemical structure CID 132101574

SCHEMBL19567942; US11731943, Example 148; 1-[1-[[4-(5-chloro-2- thienyl)phenyl]methyl]-4- (cyanomethyl)-4-piperidyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 523.000
MF:: C₂₆H₂₇ClN₆O₂S

IUPAC name:: 1-[1-[[4-(5-chlorothiophen-2-yl)phenyl]methyl]-4-(cyanomethy...

Create Date:: 2018-01-29

CID:: 132101574

Summary Similar Compounds Same Parent, Connectivity

Select item 13210157111.

an image of a chemical structure CID 132101571

SCHEMBL19567937; US11731943, Example 147; 1-[1-[[4-(4- chlorophenyl)phenyl]methyl]-4- (cyanomethyl)-4-piperidyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 517.000
MF:: C₂₈H₂₉ClN₆O₂

IUPAC name:: 1-[1-[[4-(4-chlorophenyl)phenyl]methyl]-4-(cyanomethyl)piper...

Create Date:: 2018-01-29

CID:: 132101571

Summary Similar Compounds Same Parent, Connectivity

Select item 13210155712.

an image of a chemical structure CID 132101557

SCHEMBL19567922; US11731943, Example 215; 1-[4-(cyanomethyl)-3-fluoro-1- [[4-(2-furyl)phenyl]methyl]-4- piperidyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 490.500
MF:: C₂₆H₂₇FN₆O₃

IUPAC name:: 1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-2-yl)phenyl]methyl]...

Create Date:: 2018-01-29

CID:: 132101557

Summary Similar Compounds Same Parent, Connectivity

Select item 13210155613.

an image of a chemical structure CID 132101556

SCHEMBL19567921; US11731943, Example 214; 1-[4-(cyanomethyl)-3-fluoro-1- [[4-(3-furyl)phenyl]methyl]-4- piperidyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 490.500
MF:: C₂₆H₂₇FN₆O₃

IUPAC name:: 1-[4-(cyanomethyl)-3-fluoro-1-[[4-(furan-3-yl)phenyl]methyl]...

Create Date:: 2018-01-29

CID:: 132101556

Summary Similar Compounds Same Parent, Connectivity

Select item 13210155514.

an image of a chemical structure CID 132101555

SCHEMBL19567920; US11731943, Example 216; methyl N-[4-carbamoyl-1-[4- (cyanomethyl)-1-[[4-(1- ethylpyrazol-3- yl)phenyl]methyl]-3-fluoro-4- piperidyl]pyrazol-3-yl]carbamate

MW:: 508.500
MF:: C₂₅H₂₉FN₈O₃

IUPAC name:: methyl N-[4-carbamoyl-1-[4-(cyanomethyl)-1-[[4-(1-ethylpyraz...

Create Date:: 2018-01-29

CID:: 132101555

Summary Similar Compounds Same Parent, Connectivity

Select item 13210155415.

an image of a chemical structure CID 132101554

SCHEMBL19567919; US11731943, Example 213; 1-[4-(cyanomethyl)-3-fluoro-1- [(3-hydroxy-2-methyl-4-phenyl- phenyl)methyl]-4-piperidyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 530.600
MF:: C₂₉H₃₁FN₆O₃

IUPAC name:: 1-[4-(cyanomethyl)-3-fluoro-1-[(3-hydroxy-2-methyl-4-phenylp...

Create Date:: 2018-01-29

CID:: 132101554

Summary Similar Compounds Same Parent, Connectivity

Select item 13210155016.

an image of a chemical structure CID 132101550

SCHEMBL19567913; US11731943, Example 51; 1-[4-(cyanomethyl)-1-[[2- (methanesulfonamido)phenyl] methyl]-4-piperidyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 485.400
MF:: C₂₂H₂₅BrN₆O₂

IUPAC name:: 1-[1-[(3-bromophenyl)methyl]-4-(cyanomethyl)piperidin-4-yl]-...

Create Date:: 2018-01-29

CID:: 132101550

Summary Similar Compounds Same Parent, Connectivity

Select item 13210154917.

an image of a chemical structure CID 132101549

SCHEMBL19567912; US11731943, Example 72; 1-[4-(cyanomethyl)-1-[(3- cyanophenyl)methyl]-4- piperidyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 445.500
MF:: C₂₄H₂₇N₇O₂

IUPAC name:: 1-[4-(cyanomethyl)-1-(1H-indol-6-ylmethyl)piperidin-4-yl]-3-...

Create Date:: 2018-01-29

CID:: 132101549

Summary Similar Compounds Same Parent, Connectivity

Select item 13210154818.

an image of a chemical structure CID 132101548

SCHEMBL19567911; US11731943, Example 71; 1-[4-(cyanomethyl)-1-[(2- cyanophenyl)methyl]-4- piperidyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 484.600
MF:: C₂₃H₂₈N₆O₄S

IUPAC name:: 1-[4-(cyanomethyl)-1-[(4-methylsulfonylphenyl)methyl]piperid...

Create Date:: 2018-01-29

CID:: 132101548

Summary Similar Compounds Same Parent, Connectivity

Select item 13210154719.

an image of a chemical structure CID 132101547

SCHEMBL19567910; US11731943, Example 70; 1-[4-(cyanomethyl)-1-[[4- (trifluoromethyl)phenyl]methyl]- 4-piperidyl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 484.600
MF:: C₂₃H₂₈N₆O₄S

IUPAC name:: 1-[4-(cyanomethyl)-1-[(3-methylsulfonylphenyl)methyl]piperid...

Create Date:: 2018-01-29

CID:: 132101547

Summary Similar Compounds Same Parent, Connectivity

Select item 13210154620.

an image of a chemical structure CID 132101546

SCHEMBL19567909; US11731943, Example 41; 1-[1'-(cyanomethyl)spiro[1,3- benzodioxole-2,4'- cyclohexane]-1'-yl]-3- (cyclopropanecarbonylamino) pyrazole-4-carboxamide

MW:: 436.500
MF:: C₂₃H₂₈N₆O₃

IUPAC name:: 1-[4-(cyanomethyl)-1-[(2-methoxyphenyl)methyl]piperidin-4-yl...

Create Date:: 2018-01-29

CID:: 132101546

Summary Similar Compounds Same Parent, Connectivity

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Rule of 5 (170)
Compounds satisfied Lipinski's Rule of Five in evaluating druglikeness. Query: (-5:5[LOGP]) AND (0:500[MOLWT]) AND (0:5[HBDC]) AND (0:10[HBAC]).

BioActivity Experiments

BioAssays, Active (269)
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Compounds, Active for PubChem BioAssay (Select 1919659) (269)
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PIK3CA NP_006209.2:p.E542X
PIK3CA NP_006209.2:p.E542X

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Profile neighbors for GEO Profiles (Select 92760684) (200)
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Conserved Domain Links for Protein (Select 2462517908) (1)
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