About 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-3H-pyrrol-2-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
6-(4-cyclopentyl-2-methylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-3H-pyrrol-2-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158486313) has the molecular formula C163H178F4N40O8S2
and a molecular weight of 2965.61 g/mol. Its IUPAC name is 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-3H-pyrrol-2-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one.
Frequently Asked Questions
What is the IUPAC name of 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-3H-pyrrol-2-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-3H-pyrrol-2-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 158486313) is 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-3H-pyrrol-2-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-3H-pyrrol-2-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-3H-pyrrol-2-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is CC1C=C(C2CCCC2)N=C1c1cc2cnc(Nc3ccc(NC4CCCN(C)C4)cc3)nc2n(Cc2nccs2)c1=O.CN(c1ccc(Nc2ncc3cc(-c4cnc(-c5ncco5)nc4)c(=O)n(-c4nccs4)c3n2)cc1)C1CCCNC1.Cc1cc(C2CCCC2)ccc1-c1cc2cnc(Nc3ccc(NC4CCN(C)CC4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(C2CCCC2)cnc1-c1cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc2n(CC(=O)N2CCCC2)c1=O.O=c1c(-c2ccc(C3=CCC=N3)cn2)cc2cnc(Nc3ccc(N4CCNCC4)c(F)c3)nc2n1CC(F)(F)F.
What is the InChIKey of 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-3H-pyrrol-2-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HIDHWJMVGQFKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46N6O2.C36H44N8O2.C33H38N8OS.C29H26N10O2S.C28H24F4N8O/c1-25-21-28(27-5-3-4-6-27)7-12-33(25)34-22-29-23-38-37(41-35(29)43(36(34)44)24-26-15-19-45-20-16-26)40-31-10-8-30(9-11-31)39-32-13-17-42(2)18-14-32;1-24-18-26(25-8-3-4-9-25)20-38-33(24)31-19-27-21-39-36(41-34(27)44(35(31)46)23-32(45)43-16-5-6-17-43)40-28-11-13-29(14-12-28)42(2)30-10-7-15-37-22-30;1-21-16-28(22-6-3-4-7-22)38-30(21)27-17-23-18-35-33(39-31(23)41(32(27)42)20-29-34-13-15-43-29)37-25-11-9-24(10-12-25)36-26-8-5-14-40(2)19-26;1-38(22-3-2-8-30-17-22)21-6-4-20(5-7-21)36-28-35-14-18-13-23(19-15-33-24(34-16-19)26-31-9-11-41-26)27(40)39(25(18)37-28)29-32-10-12-42-29;29-21-13-19(4-6-24(21)39-10-8-33-9-11-39)37-27-36-15-18-12-20(26(41)40(25(18)38-27)16-28(30,31)32)23-5-3-17(14-35-23)22-2-1-7-34-22/h7-12,21-23,26-27,32,39H,3-6,13-20,24H2,1-2H3,(H,38,40,41);11-14,18-21,25,30,37H,3-10,15-17,22-23H2,1-2H3,(H,39,40,41);9-13,15-18,21-22,26,36H,3-8,14,19-20H2,1-2H3,(H,35,37,39);4-7,9-16,22,30H,2-3,8,17H2,1H3,(H,35,36,37);2-7,12-15,33H,1,8-11,16H2,(H,36,37,38).
What are the key properties of 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-3H-pyrrol-2-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
6-(4-cyclopentyl-2-methylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-3H-pyrrol-2-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2965.61 g/mol, XLogP of 27.34, 37 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclopentyl-2-methylphenyl)-2-[4-[(1-methylpiperidin-4-yl)amino]anilino]-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-2-pyridinyl)-2-[4-[methyl(piperidin-3-yl)amino]anilino]-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-(5-cyclopentyl-3-methyl-3H-pyrrol-2-yl)-2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;2-(3-fluoro-4-piperazin-1-ylanilino)-6-[5-(3H-pyrrol-5-yl)-2-pyridinyl]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;2-[4-[methyl(piperidin-3-yl)amino]anilino]-6-[2-(1,3-oxazol-2-yl)pyrimidin-5-yl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158486313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).