(2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen

C93H102N22O8 — CID 167588940

IUPAC(2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen
SMILESCc1cnc(Nc2cnn(C3CCN(C(=O)OCc4ccccc4)CC3)c2)nc1-c1ccc(C(=O)C[C@H](C#N)C2CC2)cc1.Cc1cnc(Nc2cnn(C3CCN(C(=O)OCc4ccccc4)CC3)c2)nc1-c1ccc(C(=O)O)cc1.Cc1cnc(Nc2cnn(C3CCNCC3)c2)nc1-c1ccc(C(=O)C[C@H](C#N)C2CC2)cc1.N#C[C@@H](N)C1CC1.[H][H]
InChIInChI=1S/C34H35N7O3.C28H28N6O4.C26H29N7O.C5H8N2.H2/c1-23-19-36-33(39-32(23)27-11-9-26(10-12-27)31(42)17-28(18-35)25-7-8-25)38-29-20-37-41(21-29)30-13-15-40(16-14-30)34(43)44-22-24-5-3-2-4-6-24;1-19-15-29-27(32-25(19)21-7-9-22(10-8-21)26(35)36)31-23-16-30-34(17-23)24-11-13-33(14-12-24)28(37)38-18-20-5-3-2-4-6-20;1-17-14-29-26(31-22-15-30-33(16-22)23-8-10-28-11-9-23)32-25(17)20-6-4-19(5-7-20)24(34)12-21(13-27)18-2-3-18;6-3-5(7)4-1-2-4;/h2-6,9-12,19-21,25,28,30H,7-8,13-17,22H2,1H3,(H,36,38,39);2-10,15-17,24H,11-14,18H2,1H3,(H,35,36)(H,29,31,32);4-7,14-16,18,21,23,28H,2-3,8-12H2,1H3,(H,29,31,32);4-5H,1-2,7H2;1H/t28-;;21-;5-;/m1.11./s1
InChIKeyIECDEGBGPMWLBM-QAXLAEQGSA-N
MW1655.98 g/mol
LogP16.48
Rot. Bonds26

About (2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen

(2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen (PubChem CID 167588940) has the molecular formula C93H102N22O8 and a molecular weight of 1655.98 g/mol. Its IUPAC name is (2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen.

Molecular Properties

Compound Name(2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen
PubChem CID167588940
Molecular FormulaC93H102N22O8
Molecular Weight1655.98 g/mol
Exact Mass1654.83
IUPAC Name(2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen
SMILESCc1cnc(Nc2cnn(C3CCN(C(=O)OCc4ccccc4)CC3)c2)nc1-c1ccc(C(=O)C[C@H](C#N)C2CC2)cc1.Cc1cnc(Nc2cnn(C3CCN(C(=O)OCc4ccccc4)CC3)c2)nc1-c1ccc(C(=O)O)cc1.Cc1cnc(Nc2cnn(C3CCNCC3)c2)nc1-c1ccc(C(=O)C[C@H](C#N)C2CC2)cc1.N#C[C@@H](N)C1CC1.[H][H]
InChIInChI=1S/C34H35N7O3.C28H28N6O4.C26H29N7O.C5H8N2.H2/c1-23-19-36-33(39-32(23)27-11-9-26(10-12-27)31(42)17-28(18-35)25-7-8-25)38-29-20-37-41(21-29)30-13-15-40(16-14-30)34(43)44-22-24-5-3-2-4-6-24;1-19-15-29-27(32-25(19)21-7-9-22(10-8-21)26(35)36)31-23-16-30-34(17-23)24-11-13-33(14-12-24)28(37)38-18-20-5-3-2-4-6-20;1-17-14-29-26(31-22-15-30-33(16-22)23-8-10-28-11-9-23)32-25(17)20-6-4-19(5-7-20)24(34)12-21(13-27)18-2-3-18;6-3-5(7)4-1-2-4;/h2-6,9-12,19-21,25,28,30H,7-8,13-17,22H2,1H3,(H,36,38,39);2-10,15-17,24H,11-14,18H2,1H3,(H,35,36)(H,29,31,32);4-7,14-16,18,21,23,28H,2-3,8-12H2,1H3,(H,29,31,32);4-5H,1-2,7H2;1H/t28-;;21-;5-;/m1.11./s1
InChIKeyIECDEGBGPMWLBM-QAXLAEQGSA-N
XLogP16.48
TPSA406.83 Ų
H-Bond Donors6
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001655.98
LogP ≤ 516.48
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1027

Analyze (2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen with MolForge

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Related Compounds

4-methoxycarbonylbenzoic acid;4-(methylcarbamoyl)benzoic acid;methyl 4-(methylcarbamoyl)benzoate;1-N-methyl-4-N-[5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]benzene-1,4-dicarboxamide;5-[3-pyridin-3-yl-5-(trifluoromethyl)pyrazol-1-yl]pyridin-2-amine
CID 160571192
4-[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-N-(2,2,2-trifluoroethyl)benzamide;2,2,2-trifluoroethanamine
CID 167531775
Lithium;2-aminoacetonitrile;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[5-methyl-2-[[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;4-[5-methyl-2-[[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[4-[5-methyl-2-[[1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;1-(1,1,1-trifluoropropan-2-yl)pyrazol-4-amine;hydroxide;hydrate;hydrochloride
CID 167584219
ethyl 4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]benzoate;4-[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]benzamide;oxan-4-yl methanesulfonate;(2S)-1,1,1-trifluoropropan-2-amine;hydrochloride
CID 167620126
Tert-butyl 4-[4-[[4-(4-methoxycarbonylphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl 4-[4-[[2-(4-methoxycarbonylphenyl)-5-(trifluoromethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;cyclopropanecarbonyl chloride;ethyl acetate;methyl 4-[2-[[1-[1-(cyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoate;methyl 4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydrochloride
CID 167622521
lithium;4-[2-[[1-(4-cyanocyclohexyl)pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoic acid;methane;methyl 4-[2-[[1-(4-cyanocyclohexyl)pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoate;4-methylcyclohexane-1-carbonitrile;methyl 4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]benzoate;2,2,2-trifluoroethanamine;hydroxide;hydrate
CID 167623329
lithium;tert-butyl 4-aminopyrazole-1-carboxylate;4-[2-[[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoic acid;2,2-dimethylbutanenitrile;methyl 4-(2-chloro-5-methylpyrimidin-4-yl)benzoate;methyl 4-[2-[[1-(2-cyano-2-methylpropyl)pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoate;methyl 4-[5-methyl-2-(1H-pyrazol-4-ylamino)pyrimidin-4-yl]benzoate;2,2,2-trifluoroethanamine;hydroxide;hydrate
CID 167636695
lithium;2-aminoacetonitrile;N-(cyanomethyl)-4-[2-[[1-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzamide;deuterio(fluoro)methane;4-[2-[[1-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoic acid;2,2-difluorocyclopropane-1-carboxylic acid;methane;methyl 4-[2-[[1-[1-(2,2-difluorocyclopropanecarbonyl)piperidin-4-yl]pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoate;methyl 4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;hydroxide;dihydrochloride
CID 167643981
deuterio(fluoro)methane;4-[2-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]benzoic acid;(2R)-4-[4-[2-[[1-(4,4-difluorocyclohexyl)pyrazol-4-yl]amino]-5-methylpyrimidin-4-yl]phenyl]-2-methyl-4-oxobutanenitrile
CID 167663047
lithium;2-aminoacetonitrile;N-(cyanomethyl)-4-[5-methyl-2-[[1-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide;methyl 4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoate;methyl 4-[5-methyl-2-[[1-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]benzoate;4-[5-methyl-2-[[1-[1-[1-(trifluoromethyl)cyclopropanecarbonyl]piperidin-4-yl]pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;1-(trifluoromethyl)cyclopropane-1-carboxylic acid;hydroxide;dihydrochloride
CID 167672201
4-[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;4-[5-methyl-2-[[1-(oxan-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]-N-(3,3,3-trifluoropropyl)benzamide;3,3,3-trifluoropropan-1-amine
CID 167676982
Benzyl 4-(2,4-dimethylpentan-3-yl)piperidine-1-carboxylate;1-tert-butyl-3-(2,4-dimethylpentan-3-yl)benzene;1-tert-butyl-4-(2,4-dimethylpentan-3-yl)benzene;2-(dimethylamino)-1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2,4-dimethylpentan-3-ylbenzene;4-(2,4-dimethylpentan-3-yl)benzoic acid;bis(2-(2,4-dimethylpentan-3-yl)-1,3-dimethylbenzene);4-(2,4-dimethylpentan-3-yl)-1-methylpiperidine;3-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;5-(2,4-dimethylpentan-3-yl)-1-methylpyrazole;4-(2,4-dimethylpentan-3-yl)piperidine;1-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]ethanone;2-[4-(2,4-dimethylpentan-3-yl)piperidin-1-yl]pyrimidine;2-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)pyrimidine;5-(2,4-dimethylpentan-3-yl)pyrimidine;4-(2,4-dimethylpentan-3-yl)-1-(3,3,3-trifluoropropyl)piperidine;methyl 3-methyl-2-propan-2-ylbutanoate
CID 167680329

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen?
The IUPAC name of (2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen (CID 167588940) is (2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen.
What is the SMILES notation for (2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen?
The canonical SMILES for (2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen is Cc1cnc(Nc2cnn(C3CCN(C(=O)OCc4ccccc4)CC3)c2)nc1-c1ccc(C(=O)C[C@H](C#N)C2CC2)cc1.Cc1cnc(Nc2cnn(C3CCN(C(=O)OCc4ccccc4)CC3)c2)nc1-c1ccc(C(=O)O)cc1.Cc1cnc(Nc2cnn(C3CCNCC3)c2)nc1-c1ccc(C(=O)C[C@H](C#N)C2CC2)cc1.N#C[C@@H](N)C1CC1.[H][H].
What is the InChIKey of (2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen?
The InChIKey is IECDEGBGPMWLBM-QAXLAEQGSA-N. The full InChI is InChI=1S/C34H35N7O3.C28H28N6O4.C26H29N7O.C5H8N2.H2/c1-23-19-36-33(39-32(23)27-11-9-26(10-12-27)31(42)17-28(18-35)25-7-8-25)38-29-20-37-41(21-29)30-13-15-40(16-14-30)34(43)44-22-24-5-3-2-4-6-24;1-19-15-29-27(32-25(19)21-7-9-22(10-8-21)26(35)36)31-23-16-30-34(17-23)24-11-13-33(14-12-24)28(37)38-18-20-5-3-2-4-6-20;1-17-14-29-26(31-22-15-30-33(16-22)23-8-10-28-11-9-23)32-25(17)20-6-4-19(5-7-20)24(34)12-21(13-27)18-2-3-18;6-3-5(7)4-1-2-4;/h2-6,9-12,19-21,25,28,30H,7-8,13-17,22H2,1H3,(H,36,38,39);2-10,15-17,24H,11-14,18H2,1H3,(H,35,36)(H,29,31,32);4-7,14-16,18,21,23,28H,2-3,8-12H2,1H3,(H,29,31,32);4-5H,1-2,7H2;1H/t28-;;21-;5-;/m1.11./s1.
What are the key properties of (2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen?
(2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen has a molecular weight of 1655.98 g/mol, XLogP of 16.48, 26 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-cyclopropylacetonitrile;benzyl 4-[4-[[4-[4-[(3S)-3-cyano-3-cyclopropylpropanoyl]phenyl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]piperidine-1-carboxylate;(2S)-2-cyclopropyl-4-[4-[5-methyl-2-[(1-piperidin-4-ylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]-4-oxobutanenitrile;4-[5-methyl-2-[[1-(1-phenylmethoxycarbonylpiperidin-4-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzoic acid;molecular hydrogen is sourced from PubChem (CID 167588940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).