About 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159039192) has the molecular formula C161H165ClN40O10S2
and a molecular weight of 2919.95 g/mol. Its IUPAC name is 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.
Frequently Asked Questions
What is the IUPAC name of 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 159039192) is 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is CN1CCC(Nc2ccc(Nc3ncc4cc(-c5ccc(-c6cnccn6)cc5Cl)c(=O)n(CC(=O)N5CCCC5)c4n3)cc2)CC1.Cc1cc(-c2cnco2)ccc1-c1cc2cnc(Nc3ccc(NC4CCNCC4)cc3)nc2n(C(C)C)c1=O.Cc1cc(-c2cocn2)cnc1-c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(CC2CC2)c1=O.Cc1cc(-c2nnco2)ncc1-c1cc2cnc(Nc3ccc(C4CN(C)CCO4)cc3)nc2n(C2CCCC2)c1=O.Cc1sc(-c2ccccc2)nc1-c1cc2cnc(Nc3ccc(N(C)C4CCNCC4)cc3)nc2n(Cc2nccs2)c1=O.
What is the InChIKey of 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is JVVMIWWRQGPQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36ClN9O2.C33H32N8OS2.C31H32N8O3.C31H32N8O2.C31H33N7O2/c1-43-16-10-27(11-17-43)40-25-5-7-26(8-6-25)41-35-39-20-24-18-29(28-9-4-23(19-30(28)36)31-21-37-12-13-38-31)34(47)45(33(24)42-35)22-32(46)44-14-2-3-15-44;1-21-29(38-31(44-21)22-6-4-3-5-7-22)27-18-23-19-36-33(39-30(23)41(32(27)42)20-28-35-16-17-43-28)37-24-8-10-25(11-9-24)40(2)26-12-14-34-15-13-26;1-19-13-26(29-37-34-18-42-29)32-16-25(19)24-14-21-15-33-31(36-28(21)39(30(24)40)23-5-3-4-6-23)35-22-9-7-20(8-10-22)27-17-38(2)11-12-41-27;1-19-11-21(27-17-41-18-34-27)13-32-28(19)26-12-22-14-33-31(37-29(22)39(30(26)40)15-20-3-4-20)36-24-7-5-23(6-8-24)35-25-9-10-38(2)16-25;1-19(2)38-29-22(15-27(30(38)39)26-9-4-21(14-20(26)3)28-17-33-18-40-28)16-34-31(37-29)36-24-7-5-23(6-8-24)35-25-10-12-32-13-11-25/h4-9,12-13,18-21,27,40H,2-3,10-11,14-17,22H2,1H3,(H,39,41,42);3-11,16-19,26,34H,12-15,20H2,1-2H3,(H,36,37,39);7-10,13-16,18,23,27H,3-6,11-12,17H2,1-2H3,(H,33,35,36);5-8,11-14,17-18,20,25,35H,3-4,9-10,15-16H2,1-2H3,(H,33,36,37);4-9,14-19,25,32,35H,10-13H2,1-3H3,(H,34,36,37).
What are the key properties of 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2919.95 g/mol, XLogP of 27.84, 37 rotatable bonds, 10 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-pyrazin-2-ylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-2-[4-(4-methylmorpholin-2-yl)anilino]-6-[4-methyl-6-(1,3,4-oxadiazol-2-yl)-3-pyridinyl]pyrido[2,3-d]pyrimidin-7-one;8-(cyclopropylmethyl)-6-[3-methyl-5-(1,3-oxazol-4-yl)-2-pyridinyl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-methyl-4-(1,3-oxazol-5-yl)phenyl]-2-[4-(piperidin-4-ylamino)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-(5-methyl-2-phenyl-1,3-thiazol-4-yl)-2-[4-[methyl(piperidin-4-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159039192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).