About 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-4-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-2-[4-(1-ethylpiperidin-4-yl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one
2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-4-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-2-[4-(1-ethylpiperidin-4-yl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 159230806) has the molecular formula C191H188Cl6F3N39O7S3
and a molecular weight of 3507.78 g/mol. Its IUPAC name is 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-4-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-2-[4-(1-ethylpiperidin-4-yl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one.
Frequently Asked Questions
What is the IUPAC name of 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-4-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-2-[4-(1-ethylpiperidin-4-yl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-4-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-2-[4-(1-ethylpiperidin-4-yl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one (CID 159230806) is 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-4-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-2-[4-(1-ethylpiperidin-4-yl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-4-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-2-[4-(1-ethylpiperidin-4-yl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-4-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-2-[4-(1-ethylpiperidin-4-yl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one is CCN1CCC(c2ccc(Nc3ncc4cc(-c5ccc(-c6ccccc6C)cc5Cl)c(=O)n(C)c4n3)cc2)CC1.CCN1CCN(c2ccc(Nc3ncc4cc(-c5ccc(-c6cncs6)cc5Cl)c(=O)n(CC)c4n3)cc2F)CC1.CCn1c(=O)c(-c2ccc(-c3ccnc(C)c3)cc2Cl)cc2cnc(Nc3ccc(C4CCN5CCCC5C4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cnc(C)s3)cc2Cl)cc2cnc(Nc3ccc(C4CCN5CCCC5C4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C(C)(F)F)n3)cc2Cl)cc2cnc(Nc3ccc(N4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3scnc3C)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21.
What is the InChIKey of 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-4-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-2-[4-(1-ethylpiperidin-4-yl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KSWHHJJTWCMLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35ClN6O.C34H34ClN5O.C33H33ClN6OS.C30H29ClFN7OS.C30H30ClN7OS.C29H27ClF2N8O2/c1-3-42-33-27(19-31(34(42)43)30-11-8-24(20-32(30)36)25-12-14-37-22(2)17-25)21-38-35(40-33)39-28-9-6-23(7-10-28)26-13-16-41-15-4-5-29(41)18-26;1-4-40-17-15-24(16-18-40)23-9-12-27(13-10-23)37-34-36-21-26-19-30(33(41)39(3)32(26)38-34)29-14-11-25(20-31(29)35)28-8-6-5-7-22(28)2;1-3-40-31-24(16-28(32(40)41)27-11-8-23(17-29(27)34)30-19-35-20(2)42-30)18-36-33(38-31)37-25-9-6-21(7-10-25)22-12-14-39-13-4-5-26(39)15-22;1-3-37-9-11-38(12-10-37)26-8-6-21(15-25(26)32)35-30-34-16-20-13-23(29(40)39(4-2)28(20)36-30)22-7-5-19(14-24(22)31)27-17-33-18-41-27;1-4-38-28-21(15-25(29(38)39)24-10-5-20(16-26(24)31)27-19(2)33-18-40-27)17-32-30(35-28)34-22-6-8-23(9-7-22)37-13-11-36(3)12-14-37;1-3-40-25-18(16-34-28(37-25)35-19-5-7-20(8-6-19)39-12-10-33-11-13-39)14-22(26(40)41)21-9-4-17(15-23(21)30)24-36-27(42-38-24)29(2,31)32/h6-12,14,17,19-21,26,29H,3-5,13,15-16,18H2,1-2H3,(H,38,39,40);5-14,19-21,24H,4,15-18H2,1-3H3,(H,36,37,38);6-11,16-19,22,26H,3-5,12-15H2,1-2H3,(H,36,37,38);5-8,13-18H,3-4,9-12H2,1-2H3,(H,34,35,36);5-10,15-18H,4,11-14H2,1-3H3,(H,32,34,35);4-9,14-16,33H,3,10-13H2,1-2H3,(H,34,35,37).
What are the key properties of 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-4-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-2-[4-(1-ethylpiperidin-4-yl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one?
2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-4-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-2-[4-(1-ethylpiperidin-4-yl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3507.78 g/mol, XLogP of 40.59, 38 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-4-pyridinyl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;2-[4-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)anilino]-6-[2-chloro-4-(2-methyl-1,3-thiazol-5-yl)phenyl]-8-ethylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-(4-piperazin-1-ylanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-2-[4-(1-ethylpiperidin-4-yl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(4-methyl-1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(1,3-thiazol-5-yl)phenyl]-8-ethyl-2-[4-(4-ethylpiperazin-1-yl)-3-fluoroanilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 159230806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).