About 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one
6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 160857208) has the molecular formula C169H183Cl3F6N38O10S2
and a molecular weight of 3191.06 g/mol. Its IUPAC name is 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one.
Frequently Asked Questions
What is the IUPAC name of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one (CID 160857208) is 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is C=C(C)N1CCC(c2ccc(-c3cc4cnc(Nc5ccc(N6CCNCC6)cc5)nc4n(-c4nccs4)c3=O)c(C(F)(F)F)c2)C1.C=C(C)N1CCC(n2ccnc2-c2cc3cnc(Nc4ccc(OC5CCNC5)cc4)nc3n(CC3CCOCC3)c2=O)CC1.C=C(C)N1CCCC1c1cc(Cl)c(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(Cc3nccs3)c2=O)c(Cl)c1.CC(=O)N1CCCC(c2ccccc2-c2cc3cnc(Nc4ccc(C5CNCCO5)cc4)nc3n(CC(=O)N3CCCC3)c2=O)C1.CN1CCCCC1c1cnc(-c2cc3cnc(Nc4ccc(C5CCCNC5)cc4)nc3n(CC(F)(F)F)c2=O)c(Cl)c1.
What is the InChIKey of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SJZZJKLEDPFEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41N7O4.C34H34Cl2N8OS.C34H33F3N8OS.C34H42N8O3.C31H33ClF3N7O/c1-24(44)42-17-6-7-26(22-42)29-8-2-3-9-30(29)31-19-27-20-38-36(39-28-12-10-25(11-13-28)32-21-37-14-18-47-32)40-34(27)43(35(31)46)23-33(45)41-15-4-5-16-41;1-20(2)43-12-3-4-29(43)21-15-27(35)31(28(36)16-21)26-14-22-17-39-34(42-32(22)44(33(26)45)19-30-38-11-13-46-30)41-24-7-5-23(6-8-24)40-25-9-10-37-18-25;1-21(2)44-13-9-23(20-44)22-3-8-27(29(18-22)34(35,36)37)28-17-24-19-40-32(42-30(24)45(31(28)46)33-39-12-16-47-33)41-25-4-6-26(7-5-25)43-14-10-38-11-15-43;1-23(2)40-14-8-27(9-15-40)41-16-13-36-32(41)30-19-25-20-37-34(38-26-3-5-28(6-4-26)45-29-7-12-35-21-29)39-31(25)42(33(30)43)22-24-10-17-44-18-11-24;1-41-12-3-2-6-26(41)21-14-25(32)27(37-16-21)24-13-22-17-38-30(40-28(22)42(29(24)43)18-31(33,34)35)39-23-9-7-19(8-10-23)20-5-4-11-36-15-20/h2-3,8-13,19-20,26,32,37H,4-7,14-18,21-23H2,1H3,(H,38,39,40);5-8,11,13-17,25,29,37,40H,1,3-4,9-10,12,18-19H2,2H3,(H,39,41,42);3-8,12,16-19,23,38H,1,9-11,13-15,20H2,2H3,(H,40,41,42);3-6,13,16,19-20,24,27,29,35H,1,7-12,14-15,17-18,21-22H2,2H3,(H,37,38,39);7-10,13-14,16-17,20,26,36H,2-6,11-12,15,18H2,1H3,(H,38,39,40).
What are the key properties of 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one?
6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3191.06 g/mol, XLogP of 29.24, 38 rotatable bonds, 11 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-acetylpiperidin-3-yl)phenyl]-2-(4-morpholin-2-ylanilino)-8-(2-oxo-2-pyrrolidin-1-ylethyl)pyrido[2,3-d]pyrimidin-7-one;6-[3-chloro-5-(1-methylpiperidin-2-yl)-2-pyridinyl]-2-(4-piperidin-3-ylanilino)-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-[2,6-dichloro-4-(1-prop-1-en-2-ylpyrrolidin-2-yl)phenyl]-2-[4-(pyrrolidin-3-ylamino)anilino]-8-(1,3-thiazol-2-ylmethyl)pyrido[2,3-d]pyrimidin-7-one;8-(oxan-4-ylmethyl)-6-[1-(1-prop-1-en-2-ylpiperidin-4-yl)imidazol-2-yl]-2-(4-pyrrolidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;2-(4-piperazin-1-ylanilino)-6-[4-(1-prop-1-en-2-ylpyrrolidin-3-yl)-2-(trifluoromethyl)phenyl]-8-(1,3-thiazol-2-yl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 160857208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).