2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen

C74H93F5N22O4S3 — CID 158654860

IUPAC2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen
SMILESCc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(Sc3ccc(NC(=O)CC4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CC(N4CCOCC4)C3)nc(Sc3ccc4c(c3)CN(CC(F)(F)F)C4=O)n2)n[nH]1.Cc1ccc2cc(Sc3nc(Nc4cc(C)[nH]n4)cc(N4CC(O)(C5CC5)C4)n3)cc(F)c2n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H27F3N8O2S.C25H28FN7OS.C24H24FN7OS.7H2/c1-15-8-21(33-32-15)29-20-10-22(35-12-17(13-35)34-4-6-38-7-5-34)31-24(30-20)39-18-2-3-19-16(9-18)11-36(23(19)37)14-25(26,27)28;1-15-10-21(32-31-15)28-20-12-22(33-13-25(26,14-33)17-4-5-17)30-24(29-20)35-19-8-6-18(7-9-19)27-23(34)11-16-2-3-16;1-13-3-4-15-8-17(9-18(25)22(15)26-13)34-23-28-19(27-20-7-14(2)30-31-20)10-21(29-23)32-11-24(33,12-32)16-5-6-16;;;;;;;/h2-3,8-10,17H,4-7,11-14H2,1H3,(H2,29,30,31,32,33);6-10,12,16-17H,2-5,11,13-14H2,1H3,(H,27,34)(H2,28,29,30,31,32);3-4,7-10,16,33H,5-6,11-12H2,1-2H3,(H2,27,28,29,30,31);7*1H
InChIKeyIBZUDSLJJFOMGZ-UHFFFAOYSA-N
MW1545.90 g/mol
LogP14.60
Rot. Bonds22

About 2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen

2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen (PubChem CID 158654860) has the molecular formula C74H93F5N22O4S3 and a molecular weight of 1545.90 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen
PubChem CID158654860
Molecular FormulaC74H93F5N22O4S3
Molecular Weight1545.90 g/mol
Exact Mass1544.68
IUPAC Name2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen
SMILESCc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(Sc3ccc(NC(=O)CC4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CC(N4CCOCC4)C3)nc(Sc3ccc4c(c3)CN(CC(F)(F)F)C4=O)n2)n[nH]1.Cc1ccc2cc(Sc3nc(Nc4cc(C)[nH]n4)cc(N4CC(O)(C5CC5)C4)n3)cc(F)c2n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C25H27F3N8O2S.C25H28FN7OS.C24H24FN7OS.7H2/c1-15-8-21(33-32-15)29-20-10-22(35-12-17(13-35)34-4-6-38-7-5-34)31-24(30-20)39-18-2-3-19-16(9-18)11-36(23(19)37)14-25(26,27)28;1-15-10-21(32-31-15)28-20-12-22(33-13-25(26,14-33)17-4-5-17)30-24(29-20)35-19-8-6-18(7-9-19)27-23(34)11-16-2-3-16;1-13-3-4-15-8-17(9-18(25)22(15)26-13)34-23-28-19(27-20-7-14(2)30-31-20)10-21(29-23)32-11-24(33,12-32)16-5-6-16;;;;;;;/h2-3,8-10,17H,4-7,11-14H2,1H3,(H2,29,30,31,32,33);6-10,12,16-17H,2-5,11,13-14H2,1H3,(H,27,34)(H2,28,29,30,31,32);3-4,7-10,16,33H,5-6,11-12H2,1-2H3,(H2,27,28,29,30,31);7*1H
InChIKeyIBZUDSLJJFOMGZ-UHFFFAOYSA-N
XLogP14.60
TPSA304.19 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms108
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001545.90
LogP ≤ 514.60
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Analyze 2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen with MolForge

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Related Compounds

N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-4,4,4-trifluorobutanamide;6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(2-methylquinolin-6-yl)sulfanylpyrimidin-4-amine;6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;3-cyclopropyl-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]sulfanyl]pyrimidin-4-yl]azetidin-3-ol;molecular hydrogen
CID 157185978
N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;N-[4-[4-(3,3-difluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;ethyl [3-methyl-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-[[2-(trifluoromethyl)benzoyl]amino]phenyl]sulfanylpyrimidin-4-yl]azetidin-3-yl] hydrogen phosphate;molecular hydrogen
CID 157342858
3-cyclopropyl-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[2-(trifluoromethyl)quinolin-6-yl]sulfanylpyrimidin-4-yl]azetidin-3-ol;molecular hydrogen;3,3,3-trifluoro-N-[4-[4-[3-(2-fluoropropan-2-yl)-3-methylazetidin-1-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide;3,3,3-trifluoro-N-[4-[4-[3-[(3S)-3-fluoropyrrolidin-1-yl]azetidin-1-yl]-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propanamide;3,3,3-trifluoro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-propan-2-ylideneazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide
CID 157405584
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-4,4,4-trifluorobutanamide;2-tert-butyl-N-[4-[4-(3-cyano-3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]benzamide;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(5-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide;molecular hydrogen
CID 157440327
1-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-5,5,5-trifluoropentan-2-one;6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-(2-methylquinolin-6-yl)sulfanylpyrimidin-4-amine;6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-amine;3-cyclopropyl-1-[6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]sulfanylpyrimidin-4-yl]azetidin-3-ol;molecular hydrogen
CID 157730407
N-[4-[4-(azetidin-1-yl)-6-(1,3-diaminobut-2-enylideneamino)pyrimidin-2-yl]sulfanylphenyl]-3-methylpyridine-2-carboxamide;6-[3-[(3R)-3-fluoropyrrolidin-1-yl]azetidin-1-yl]-N-(5-methyl-1H-pyrazol-3-yl)-2-(2-methylquinolin-6-yl)sulfanylpyrimidin-4-amine;molecular hydrogen;3,3,3-trifluoro-N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]propanamide
CID 157931135
7-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)isoquinolin-1-one;6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]sulfanylpyrimidin-4-amine;N-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanylphenyl]-1-(trifluoromethyl)cyclopropane-1-carboxamide;molecular hydrogen
CID 158046826
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-3,3,3-trifluoropropanamide;1-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]pyrrolidin-2-one;molecular hydrogen
CID 158312715
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,2-dimethylpropanamide;N-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,2-difluorocyclopropane-1-carboxamide;N-[4-[4-(3-hydroxy-3-methylazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2-(trifluoromethyl)benzamide;molecular hydrogen
CID 158698144
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,2-difluorocyclopropane-1-carboxamide;N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-2,2-dimethylpropanamide;2-[4-[4-(3-cyclopropyl-3-hydroxyazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-1-(2,2-difluorocyclopropyl)ethanone;molecular hydrogen
CID 158856322
1-cyclopropyl-3-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]propan-2-one;6-(3-cyclopropyl-3-fluoroazetidin-1-yl)-2-(4-methylphenyl)sulfanyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen
CID 159171368
N-[4-[4-(azetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]-4,4,4-trifluorobutanamide;1-[2-[4-[2-(2-tert-butylphenyl)-2-oxoethyl]phenyl]sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]-3-methylazetidine-3-carbonitrile;1-cyclopropyl-2-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(5-oxa-2-azaspiro[3.4]octan-2-yl)pyrimidin-2-yl]sulfanylphenyl]ethanone;molecular hydrogen
CID 159251988

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen?
The IUPAC name of 2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen (CID 158654860) is 2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen.
What is the SMILES notation for 2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen?
The canonical SMILES for 2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen is Cc1cc(Nc2cc(N3CC(F)(C4CC4)C3)nc(Sc3ccc(NC(=O)CC4CC4)cc3)n2)n[nH]1.Cc1cc(Nc2cc(N3CC(N4CCOCC4)C3)nc(Sc3ccc4c(c3)CN(CC(F)(F)F)C4=O)n2)n[nH]1.Cc1ccc2cc(Sc3nc(Nc4cc(C)[nH]n4)cc(N4CC(O)(C5CC5)C4)n3)cc(F)c2n1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen?
The InChIKey is IBZUDSLJJFOMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N8O2S.C25H28FN7OS.C24H24FN7OS.7H2/c1-15-8-21(33-32-15)29-20-10-22(35-12-17(13-35)34-4-6-38-7-5-34)31-24(30-20)39-18-2-3-19-16(9-18)11-36(23(19)37)14-25(26,27)28;1-15-10-21(32-31-15)28-20-12-22(33-13-25(26,14-33)17-4-5-17)30-24(29-20)35-19-8-6-18(7-9-19)27-23(34)11-16-2-3-16;1-13-3-4-15-8-17(9-18(25)22(15)26-13)34-23-28-19(27-20-7-14(2)30-31-20)10-21(29-23)32-11-24(33,12-32)16-5-6-16;;;;;;;/h2-3,8-10,17H,4-7,11-14H2,1H3,(H2,29,30,31,32,33);6-10,12,16-17H,2-5,11,13-14H2,1H3,(H,27,34)(H2,28,29,30,31,32);3-4,7-10,16,33H,5-6,11-12H2,1-2H3,(H2,27,28,29,30,31);7*1H.
What are the key properties of 2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen?
2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen has a molecular weight of 1545.90 g/mol, XLogP of 14.60, 22 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-[4-(3-cyclopropyl-3-fluoroazetidin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]sulfanylphenyl]acetamide;3-cyclopropyl-1-[2-(8-fluoro-2-methylquinolin-6-yl)sulfanyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl]azetidin-3-ol;5-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-(3-morpholin-4-ylazetidin-1-yl)pyrimidin-2-yl]sulfanyl-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-one;molecular hydrogen is sourced from PubChem (CID 158654860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).