About 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one
6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158500926) has the molecular formula C169H193ClF4N38O10S2
and a molecular weight of 3092.24 g/mol. Its IUPAC name is 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
Frequently Asked Questions
What is the IUPAC name of 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 158500926) is 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CC(=O)N1CCCC1c1nc(-c2cc3cnc(Nc4ccc(N5CCNCC5)c(C)c4)nc3n(Cc3ccccc3C(F)(F)F)c2=O)c(C)s1.CC(=O)N1CCCCC1c1cnc(-c2cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc3n(C(C)C)c2=O)c(Cl)c1.CN1CCC(c2ccc(-c3cc4cnc(Nc5ccc(C6CCCN(C)C6)cc5)nc4n(CCN4CCOCC4)c3=O)c(F)c2)CC1.Cc1cc(C2CCOCC2)ncc1-c1cc2cnc(Nc3ccc(CC4CCNC4)cc3)nc2n(-c2nccs2)c1=O.Cn1cc(C2CCCCN2)nc1-c1cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n(C2CCOC2)c1=O.
What is the InChIKey of 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HJWNWVPZZHMJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46FN7O2.C36H37F3N8O2S.C33H39ClN8O2.C32H33N7O2S.C31H38N8O2/c1-42-14-11-27(12-15-42)28-7-10-32(34(38)23-28)33-22-30-24-39-37(40-31-8-5-26(6-9-31)29-4-3-13-43(2)25-29)41-35(30)45(36(33)46)17-16-44-18-20-47-21-19-44;1-21-17-26(10-11-29(21)45-15-12-40-13-16-45)42-35-41-19-25-18-27(31-22(2)50-33(43-31)30-9-6-14-46(30)23(3)48)34(49)47(32(25)44-35)20-24-7-4-5-8-28(24)36(37,38)39;1-21(2)42-31-24(20-36-33(38-31)37-25-8-10-26(11-9-25)40-15-13-39(4)14-16-40)17-27(32(42)44)30-28(34)18-23(19-35-30)29-7-5-6-12-41(29)22(3)43;1-20-14-28(23-7-11-41-12-8-23)35-19-27(20)26-16-24-18-36-31(38-29(24)39(30(26)40)32-34-10-13-42-32)37-25-4-2-21(3-5-25)15-22-6-9-33-17-22;1-38-18-27(26-4-2-3-12-33-26)36-29(38)25-16-22-17-34-31(37-28(22)39(30(25)40)24-11-15-41-19-24)35-23-7-5-20(6-8-23)21-9-13-32-14-10-21/h5-10,22-24,27,29H,3-4,11-21,25H2,1-2H3,(H,39,40,41);4-5,7-8,10-11,17-19,30,40H,6,9,12-16,20H2,1-3H3,(H,41,42,44);8-11,17-21,29H,5-7,12-16H2,1-4H3,(H,36,37,38);2-5,10,13-14,16,18-19,22-23,33H,6-9,11-12,15,17H2,1H3,(H,36,37,38);5-8,16-18,21,24,26,32-33H,2-4,9-15,19H2,1H3,(H,34,35,37).
What are the key properties of 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3092.24 g/mol, XLogP of 26.96, 34 rotatable bonds, 9 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(1-acetylpiperidin-2-yl)-3-chloro-2-pyridinyl]-2-[4-(4-methylpiperazin-1-yl)anilino]-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;6-[2-(1-acetylpyrrolidin-2-yl)-5-methyl-1,3-thiazol-4-yl]-2-(3-methyl-4-piperazin-1-ylanilino)-8-[[2-(trifluoromethyl)phenyl]methyl]pyrido[2,3-d]pyrimidin-7-one;6-[2-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-2-[4-(1-methylpiperidin-3-yl)anilino]-8-(2-morpholin-4-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[4-methyl-6-(oxan-4-yl)-3-pyridinyl]-2-[4-(pyrrolidin-3-ylmethyl)anilino]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one;6-(1-methyl-4-piperidin-2-ylimidazol-2-yl)-8-(oxolan-3-yl)-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158500926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).