2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile

C106H131ClF9N37O10 — CID 160511821

IUPAC2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
SMILESCCNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F.CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C.CNc1nc(Nc2cn(C(C)(C)C#N)nc2C)ncc1C.CNc1nc(Nc2cnn([C@H]3CCN(C4COC4)C[C@@H]3F)c2Cl)ncc1C.COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(C)c(NC2CC2)n1.Cc1nn(C(C)(C)c2ncn(C)n2)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C20H24FN5O3.C19H21F4N5O3.C18H21F3N8.C18H23N5O3.C17H23ClFN7O.C14H19N7/c1-12-11-22-20(25-18(12)23-13-3-4-13)24-16-10-15(21)14(9-17(16)28-2)19(27)26-5-7-29-8-6-26;1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28;1-10-13(8-29(26-10)17(2,3)15-23-9-28(4)27-15)24-16-22-7-12(18(19,20)21)14(25-16)11-5-6-11;1-12-11-20-18(22-16(12)19-2)21-14-5-4-13(10-15(14)25-3)17(24)23-6-8-26-9-7-23;1-10-5-21-17(24-16(10)20-2)23-13-6-22-26(15(13)18)14-3-4-25(7-12(14)19)11-8-27-9-11;1-9-6-17-13(19-12(9)16-5)18-11-7-21(20-10(11)2)14(3,4)8-15/h9-11,13H,3-8H2,1-2H3,(H2,22,23,24,25);8-10H,3-7H2,1-2H3,(H2,24,25,26,27);7-9,11H,5-6H2,1-4H3,(H,22,24,25);4-5,10-11H,6-9H2,1-3H3,(H2,19,20,21,22);5-6,11-12,14H,3-4,7-9H2,1-2H3,(H2,20,21,23,24);6-7H,1-5H3,(H2,16,17,18,19)/t;;;;12-,14-;/m....0./s1
InChIKeyQTDLFPOWVUDHGX-VRIJQFNOSA-N
MW2289.90 g/mol
LogP16.34
Rot. Bonds31

About 2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile

2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile (PubChem CID 160511821) has the molecular formula C106H131ClF9N37O10 and a molecular weight of 2289.90 g/mol. Its IUPAC name is 2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
PubChem CID160511821
Molecular FormulaC106H131ClF9N37O10
Molecular Weight2289.90 g/mol
Exact Mass2288.04
IUPAC Name2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
SMILESCCNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F.CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C.CNc1nc(Nc2cn(C(C)(C)C#N)nc2C)ncc1C.CNc1nc(Nc2cnn([C@H]3CCN(C4COC4)C[C@@H]3F)c2Cl)ncc1C.COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(C)c(NC2CC2)n1.Cc1nn(C(C)(C)c2ncn(C)n2)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1
InChIInChI=1S/C20H24FN5O3.C19H21F4N5O3.C18H21F3N8.C18H23N5O3.C17H23ClFN7O.C14H19N7/c1-12-11-22-20(25-18(12)23-13-3-4-13)24-16-10-15(21)14(9-17(16)28-2)19(27)26-5-7-29-8-6-26;1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28;1-10-13(8-29(26-10)17(2,3)15-23-9-28(4)27-15)24-16-22-7-12(18(19,20)21)14(25-16)11-5-6-11;1-12-11-20-18(22-16(12)19-2)21-14-5-4-13(10-15(14)25-3)17(24)23-6-8-26-9-7-23;1-10-5-21-17(24-16(10)20-2)23-13-6-22-26(15(13)18)14-3-4-25(7-12(14)19)11-8-27-9-11;1-9-6-17-13(19-12(9)16-5)18-11-7-21(20-10(11)2)14(3,4)8-15/h9-11,13H,3-8H2,1-2H3,(H2,22,23,24,25);8-10H,3-7H2,1-2H3,(H2,24,25,26,27);7-9,11H,5-6H2,1-4H3,(H,22,24,25);4-5,10-11H,6-9H2,1-3H3,(H2,19,20,21,22);5-6,11-12,14H,3-4,7-9H2,1-2H3,(H2,20,21,23,24);6-7H,1-5H3,(H2,16,17,18,19)/t;;;;12-,14-;/m....0./s1
InChIKeyQTDLFPOWVUDHGX-VRIJQFNOSA-N
XLogP16.34
TPSA523.75 Ų
H-Bond Donors11
H-Bond Acceptors44
Rotatable Bonds31
Heavy Atoms163
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002289.90
LogP ≤ 516.34
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1044

Analyze 2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile with MolForge

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Related Compounds

2-[3-[[2-[[6-[4-[4-[[4-(Ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxybenzoyl]morpholin-2-yl]-2-[5-fluoro-2-methoxy-4-(morpholine-4-carbonyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclopropyl]methyl]-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]-2-methylpropanenitrile
CID 156375777
(4R)-5-cyclopentyl-4-ethyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-ethyl-3-fluorobenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-ethyl-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-methyl-3-(trifluoromethyl)benzamide
CID 157696834
(4R)-5-cyclopentyl-4-ethyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-(3,3-difluorocyclobutyl)-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-ethyl-3-fluorobenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-ethyl-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-3-fluoro-N-methylbenzamide
CID 157808310
(4E)-4-[[5-(2-chloro-4-imidazol-1-ylanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[5-(2-chloro-4-pyrazol-1-ylanilino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-(4-imidazol-1-yl-2-methoxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]benzamide;4-[[7-(cyclopropylamino)-3-[(E)-(2-methylidene-5-oxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]-3-(trifluoromethoxy)benzonitrile
CID 158081916
N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 158293306
4-[(9-cyclopentyl-7,7-difluoro-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,4,5,9,11,13-heptazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,3,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 158733254
(4R)-5-cyclopentyl-4-ethyl-N-[2-fluoro-4-(trifluoromethyl)phenyl]-4H-[1,2,4]triazolo[4,3-f]pteridin-7-amine;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-(3,3-difluorocyclobutyl)-3-methoxybenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-ethyl-3-fluorobenzamide;4-[[(4R)-5-cyclopentyl-4-ethyl-4H-[1,2,4]triazolo[4,3-f]pteridin-7-yl]amino]-N-ethyl-3-methoxybenzamide
CID 158885617
4-[(9-cyclopentyl-7,7-difluoro-2,4,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7,7-difluoro-2,5,9,11,13-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,4,5,9,11,13-hexazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide;4-[(9-cyclopentyl-7-fluoro-7-methyl-2,5,9,11,13-pentazatricyclo[8.4.0.02,6]tetradeca-1(14),3,5,10,12-pentaen-12-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 161058846
N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-amine;2-[[1-(2-cyanopropan-2-yl)-3-methylpyrazol-4-yl]amino]-4-cyclopentylpyrimidine-5-carbonitrile;4-cyclopropyl-2-[(3-methyl-1-methylsulfonylpyrazol-4-yl)amino]pyrimidine-5-carbonitrile;1-[4-[4-[[4-cyclopropyl-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-(2,2,3,3,5,5,6,6-octadeuteriomorpholin-4-yl)methanone;2-methyl-2-[3-methyl-4-[[4-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile
CID 161296866
N-tert-butyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-propoxybenzamide;N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-3-(2,2,2-trifluoroethoxy)benzamide;3-methoxy-N-methyl-N-[2-(methylamino)ethyl]-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
CID 161649705
N,N-dimethyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(1-methylpiperidin-4-yl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-morpholin-4-ylethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 162059035
CID 168396168
CID 168396168

Frequently Asked Questions

What is the IUPAC name of 2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile?
The IUPAC name of 2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile (CID 160511821) is 2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile is CCNc1nc(Nc2cc(F)c(C(=O)N3CCOCC3)cc2OC)ncc1C(F)(F)F.CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C.CNc1nc(Nc2cn(C(C)(C)C#N)nc2C)ncc1C.CNc1nc(Nc2cnn([C@H]3CCN(C4COC4)C[C@@H]3F)c2Cl)ncc1C.COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(C)c(NC2CC2)n1.Cc1nn(C(C)(C)c2ncn(C)n2)cc1Nc1ncc(C(F)(F)F)c(C2CC2)n1.
What is the InChIKey of 2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile?
The InChIKey is QTDLFPOWVUDHGX-VRIJQFNOSA-N. The full InChI is InChI=1S/C20H24FN5O3.C19H21F4N5O3.C18H21F3N8.C18H23N5O3.C17H23ClFN7O.C14H19N7/c1-12-11-22-20(25-18(12)23-13-3-4-13)24-16-10-15(21)14(9-17(16)28-2)19(27)26-5-7-29-8-6-26;1-3-24-16-12(19(21,22)23)10-25-18(27-16)26-14-9-13(20)11(8-15(14)30-2)17(29)28-4-6-31-7-5-28;1-10-13(8-29(26-10)17(2,3)15-23-9-28(4)27-15)24-16-22-7-12(18(19,20)21)14(25-16)11-5-6-11;1-12-11-20-18(22-16(12)19-2)21-14-5-4-13(10-15(14)25-3)17(24)23-6-8-26-9-7-23;1-10-5-21-17(24-16(10)20-2)23-13-6-22-26(15(13)18)14-3-4-25(7-12(14)19)11-8-27-9-11;1-9-6-17-13(19-12(9)16-5)18-11-7-21(20-10(11)2)14(3,4)8-15/h9-11,13H,3-8H2,1-2H3,(H2,22,23,24,25);8-10H,3-7H2,1-2H3,(H2,24,25,26,27);7-9,11H,5-6H2,1-4H3,(H,22,24,25);4-5,10-11H,6-9H2,1-3H3,(H2,19,20,21,22);5-6,11-12,14H,3-4,7-9H2,1-2H3,(H2,20,21,23,24);6-7H,1-5H3,(H2,16,17,18,19)/t;;;;12-,14-;/m....0./s1.
What are the key properties of 2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile?
2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile has a molecular weight of 2289.90 g/mol, XLogP of 16.34, 31 rotatable bonds, 11 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[5-chloro-1-[(3S,4S)-3-fluoro-1-(oxetan-3-yl)piperidin-4-yl]pyrazol-4-yl]-4-N,5-dimethylpyrimidine-2,4-diamine;[4-[[4-(cyclopropylamino)-5-methylpyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;4-cyclopropyl-N-[3-methyl-1-[2-(1-methyl-1,2,4-triazol-3-yl)propan-2-yl]pyrazol-4-yl]-5-(trifluoromethyl)pyrimidin-2-amine;[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]-morpholin-4-ylmethanone;[3-methoxy-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone;2-methyl-2-[3-methyl-4-[[5-methyl-4-(methylamino)pyrimidin-2-yl]amino]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 160511821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).