About 6-[6-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
6-[6-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159703219) has the molecular formula C157H171F3N46O11S2
and a molecular weight of 2999.53 g/mol. Its IUPAC name is 6-[6-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.
Frequently Asked Questions
What is the IUPAC name of 6-[6-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[6-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 159703219) is 6-[6-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[6-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[6-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2cnc(C3=NNN(C)N3)cc2C)cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc21.Cc1c(-c2cc3cnc(Nc4ccc(C5CCCNC5)cc4)nc3n(CCN(C)S(C)(=O)=O)c2=O)ncn1-c1nccn1C.Cc1cc(-c2ccnn2C)cnc1-c1cc2cnc(Nc3ccc(NC4CCNC4)cc3)nc2n(C2CCC(S(C)(=O)=O)CC2)c1=O.Cc1cc(-c2cnn(C)c2)ccc1-c1cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc2n(Cc2ccccc2C(F)(F)F)c1=O.Cc1nc(-c2ccc(-c3cc4cnc(Nc5ccc(C6CNCCO6)cc5)nc4n(C(C)C)c3=O)c(C)n2)n(C)n1.
What is the InChIKey of 6-[6-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is MXWSPCPEFLHTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H33F3N8O.C34H39N9O3S.C30H36N10O3S.C30H33N9O2.C27H30N10O2/c1-23-17-24(27-20-42-45(2)21-27)7-12-30(23)31-18-26-19-41-35(43-28-8-10-29(11-9-28)46-15-13-40-14-16-46)44-33(26)47(34(31)48)22-25-5-3-4-6-32(25)36(37,38)39;1-21-16-22(30-13-15-38-42(30)2)18-36-31(21)29-17-23-19-37-34(40-25-6-4-24(5-7-25)39-26-12-14-35-20-26)41-32(23)43(33(29)44)27-8-10-28(11-9-27)47(3,45)46;1-20-26(34-19-40(20)30-32-12-13-37(30)2)25-16-23-18-33-29(35-24-9-7-21(8-10-24)22-6-5-11-31-17-22)36-27(23)39(28(25)41)15-14-38(3)44(4,42)43;1-17(2)39-27-21(15-32-30(36-27)35-22-8-6-20(7-9-22)26-16-31-12-13-41-26)14-24(29(39)40)23-10-11-25(33-18(23)3)28-34-19(4)37-38(28)5;1-4-37-25-17(12-21(26(37)38)22-15-29-23(11-16(22)2)24-33-35-36(3)34-24)13-30-27(32-25)31-18-5-7-19(8-6-18)39-20-9-10-28-14-20/h3-12,17-21,40H,13-16,22H2,1-2H3,(H,41,43,44);4-7,13,15-19,26-28,35,39H,8-12,14,20H2,1-3H3,(H,37,40,41);7-10,12-13,16,18-19,22,31H,5-6,11,14-15,17H2,1-4H3,(H,33,35,36);6-11,14-15,17,26,31H,12-13,16H2,1-5H3,(H,32,35,36);5-8,11-13,15,20,28,35H,4,9-10,14H2,1-3H3,(H,33,34)(H,30,31,32).
What are the key properties of 6-[6-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
6-[6-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2999.53 g/mol, XLogP of 20.32, 37 rotatable bonds, 13 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-methyl-3-pyridinyl]-2-(4-morpholin-2-ylanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-ethyl-6-[4-methyl-6-(2-methyl-1,3-dihydrotetrazol-5-yl)-3-pyridinyl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;N-methyl-N-[2-[6-[5-methyl-1-(1-methylimidazol-2-yl)imidazol-4-yl]-7-oxo-2-(4-piperidin-3-ylanilino)pyrido[2,3-d]pyrimidin-8-yl]ethyl]methanesulfonamide;6-[2-methyl-4-(1-methylpyrazol-4-yl)phenyl]-2-(4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[3-methyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-8-(4-methylsulfonylcyclohexyl)-2-[4-(pyrrolidin-3-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159703219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).