About 6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[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-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158561033) has the molecular formula C187H185Cl6F3N40O9
and a molecular weight of 3406.52 g/mol. Its IUPAC name is 6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
Frequently Asked Questions
What is the IUPAC name of 6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one (CID 158561033) is 6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2ccc(-c3ccccc3C)cc2Cl)cc2cnc(Nc3ccc(CCN4CCCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3cccnc3)cc2Cl)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C(C)(F)F)n3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(Nc3ccc(CCN4CCCC4)cc3)nc21.CCn1c(=O)c(-c2ccc(-c3noc(C)n3)cc2Cl)cc2cnc(Nc3ccc(N4CCN(C(C)C)CC4)cc3)nc21.CN(C)CCc1ccc(Nc2ncc3cc(-c4ccc(-c5cccnc5F)cc4Cl)c(=O)n(C)c3n2)cc1.
What is the InChIKey of 6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HQWQXSLWIWPJRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34ClN5O.C32H33ClF2N8O2.C31H33ClN8O2.C31H29ClN6O.C30H30ClN7O2.C29H26ClFN6O/c1-3-40-32-26(20-30(33(40)41)29-15-12-25(21-31(29)35)28-9-5-4-8-23(28)2)22-36-34(38-32)37-27-13-10-24(11-14-27)16-19-39-17-6-7-18-39;1-5-43-28-21(16-25(29(43)44)24-11-6-20(17-26(24)33)27-38-30(45-40-27)32(4,34)35)18-36-31(39-28)37-22-7-9-23(10-8-22)42-14-12-41(13-15-42)19(2)3;1-5-40-29-22(16-26(30(40)41)25-11-6-21(17-27(25)32)28-34-20(4)42-37-28)18-33-31(36-29)35-23-7-9-24(10-8-23)39-14-12-38(13-15-39)19(2)3;1-2-38-29-24(16-27(30(38)39)26-10-7-22(17-28(26)32)23-4-3-13-34-18-23)19-35-31(37-29)36-25-8-5-20(6-9-25)21-11-14-33-15-12-21;1-3-38-28-22(16-25(29(38)39)24-11-8-21(17-26(24)31)27-33-19(2)40-36-27)18-32-30(35-28)34-23-9-6-20(7-10-23)12-15-37-13-4-5-14-37;1-36(2)14-12-18-6-9-21(10-7-18)34-29-33-17-20-15-24(28(38)37(3)27(20)35-29)23-11-8-19(16-25(23)30)22-5-4-13-32-26(22)31/h4-5,8-15,20-22H,3,6-7,16-19H2,1-2H3,(H,36,37,38);6-11,16-19H,5,12-15H2,1-4H3,(H,36,37,39);6-11,16-19H,5,12-15H2,1-4H3,(H,33,35,36);3-10,13,16-19,21,33H,2,11-12,14-15H2,1H3,(H,35,36,37);6-11,16-18H,3-5,12-15H2,1-2H3,(H,32,34,35);4-11,13,15-17H,12,14H2,1-3H3,(H,33,34,35).
What are the key properties of 6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[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-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 3406.52 g/mol, XLogP of 37.80, 44 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-chloro-4-[5-(1,1-difluoroethyl)-1,2,4-oxadiazol-3-yl]phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-fluoro-3-pyridinyl)phenyl]-2-[4-[2-(dimethylamino)ethyl]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylphenyl)phenyl]-8-ethyl-2-[4-(2-pyrrolidin-1-ylethyl)anilino]pyrido[2,3-d]pyrimidin-7-one;6-(2-chloro-4-pyridin-3-ylphenyl)-8-ethyl-2-(4-piperidin-4-ylanilino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158561033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).