About 6-(2-chloro-4-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(4-methyl-2-pyrazin-2-ylphenyl)-7-oxo-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one
6-(2-chloro-4-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(4-methyl-2-pyrazin-2-ylphenyl)-7-oxo-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158907550) has the molecular formula C173H181ClF4N38O10S2
and a molecular weight of 3128.19 g/mol. Its IUPAC name is 6-(2-chloro-4-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(4-methyl-2-pyrazin-2-ylphenyl)-7-oxo-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
Frequently Asked Questions
What is the IUPAC name of 6-(2-chloro-4-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(4-methyl-2-pyrazin-2-ylphenyl)-7-oxo-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-4-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(4-methyl-2-pyrazin-2-ylphenyl)-7-oxo-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 158907550) is 6-(2-chloro-4-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(4-methyl-2-pyrazin-2-ylphenyl)-7-oxo-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-4-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(4-methyl-2-pyrazin-2-ylphenyl)-7-oxo-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-4-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(4-methyl-2-pyrazin-2-ylphenyl)-7-oxo-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is C.C.Cc1ccc(-c2cc3cnc(Nc4ccc(N5CCNCC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)c(-c2cnccn2)c1.Cc1nn(-c2ccccc2)c(C)c1-c1cc2cnc(Nc3ccc(C4CCN(C)C4)cc3)nc2n(CC(=O)N2CCCC2)c1=O.Cc1sc(-c2ccccn2)nc1-c1cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc2n(CCN2CCOCC2)c1=O.O=c1c(-c2ccc(-c3ccncc3)cc2Cl)cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n1Cc1ccccc1C(F)(F)F.O=c1c(-c2ccc(-c3ccncc3)cc2F)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1CC1CCOCC1.
What is the InChIKey of 6-(2-chloro-4-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(4-methyl-2-pyrazin-2-ylphenyl)-7-oxo-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JGFSLFIDACSKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29ClF3N7O.C35H35FN6O2.C35H38N8O2.C33H36N8O2S.C32H35N9O3S.2CH4/c37-32-18-23(22-11-14-41-15-12-22)5-10-29(32)30-17-25-19-43-35(45-27-8-6-26(7-9-27)44-28-13-16-42-20-28)46-33(25)47(34(30)48)21-24-3-1-2-4-31(24)36(38,39)40;36-32-20-27(26-9-15-38-16-10-26)3-6-30(32)31-19-28-21-39-35(40-29-4-1-24(2-5-29)25-7-13-37-14-8-25)41-33(28)42(34(31)43)22-23-11-17-44-18-12-23;1-23-32(24(2)43(39-23)29-9-5-4-6-10-29)30-19-27-20-36-35(37-28-13-11-25(12-14-28)26-15-18-40(3)21-26)38-33(27)42(34(30)45)22-31(44)41-16-7-8-17-41;1-22-29(38-31(44-22)28-6-2-3-12-35-28)27-19-25-21-36-33(37-26-9-7-23(8-10-26)24-5-4-11-34-20-24)39-30(25)41(32(27)42)14-13-40-15-17-43-18-16-40;1-22-4-9-26(27(18-22)29-21-34-10-11-35-29)28-19-23-20-36-32(37-24-5-7-25(8-6-24)40-14-12-33-13-15-40)38-30(23)41(31(28)42)17-16-39(2)45(3,43)44;;/h1-12,14-15,17-19,28,42,44H,13,16,20-21H2,(H,43,45,46);1-6,9-10,15-16,19-21,23,25,37H,7-8,11-14,17-18,22H2,(H,39,40,41);4-6,9-14,19-20,26H,7-8,15-18,21-22H2,1-3H3,(H,36,37,38);2-3,6-10,12,19,21,24,34H,4-5,11,13-18,20H2,1H3,(H,36,37,39);4-11,18-21,33H,12-17H2,1-3H3,(H,36,37,38);2*1H4.
What are the key properties of 6-(2-chloro-4-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(4-methyl-2-pyrazin-2-ylphenyl)-7-oxo-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-4-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(4-methyl-2-pyrazin-2-ylphenyl)-7-oxo-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3128.19 g/mol, XLogP of 28.47, 39 rotatable bonds, 10 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-pyridin-4-ylphenyl)-2-[4-(pyrrolidin-3-ylamino)anilino]-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1-methylpyrrolidin-3-yl)anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(2-fluoro-4-pyridin-4-ylphenyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one;methane;N-methyl-N-[2-[6-(4-methyl-2-pyrazin-2-ylphenyl)-7-oxo-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl)-8-(2-morpholin-4-ylethyl)-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158907550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).