About 6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one
6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 158266415) has the molecular formula C164H171Cl2F3N34O10
and a molecular weight of 2906.30 g/mol. Its IUPAC name is 6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.
Frequently Asked Questions
What is the IUPAC name of 6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one (CID 158266415) is 6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is CC(C)n1c(=O)c(-c2ccc(-c3ccnn3C)cc2Cl)cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc21.CC(C)n1c(=O)c(-c2ccccc2-c2ccoc2)cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc21.CN1CCC(Oc2ccc(Nc3ncc4cc(-c5ccc(-c6nccn6C)cc5C(F)(F)F)c(=O)n(C5CCCC5)c4n3)cc2)C1.Cc1ccc(-c2cc3cnc(Nc4ccc(NC5CCCN(C)C5)cc4)nc3n(CC3CCOCC3)c2=O)c(-c2ccccn2)c1.Cn1cccc1/C(N)=C/N=C(\CCl)c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(CC2CC2)c1=O.
What is the InChIKey of 6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GIMNDCHSJVGINW-PAELOJAFSA-N. The full InChI is InChI=1S/C37H41N7O2.C34H34F3N7O2.C31H35ClN8O2.C31H32ClN7O2.C31H29N5O2/c1-25-8-13-31(32(20-25)34-7-3-4-16-38-34)33-21-27-22-39-37(42-35(27)44(36(33)45)23-26-14-18-46-19-15-26)41-29-11-9-28(10-12-29)40-30-6-5-17-43(2)24-30;1-42-15-13-26(20-42)46-25-10-8-23(9-11-25)40-33-39-19-22-17-28(32(45)44(31(22)41-33)24-5-3-4-6-24)27-12-7-21(18-29(27)34(35,36)37)30-38-14-16-43(30)2;1-39-14-2-3-28(39)26(33)18-35-27(16-32)25-15-21-17-36-31(38-29(21)40(30(25)41)19-20-4-5-20)37-22-6-8-23(9-7-22)42-24-10-12-34-13-11-24;1-19(2)39-29-21(15-26(30(39)40)25-11-6-20(16-27(25)32)28-12-14-35-38(28)3)17-34-31(37-29)36-22-7-9-23(10-8-22)41-24-5-4-13-33-18-24;1-20(2)36-29-24(17-28(30(36)37)27-6-4-3-5-26(27)23-13-16-38-19-23)18-33-31(35-29)34-25-9-7-21(8-10-25)22-11-14-32-15-12-22/h3-4,7-13,16,20-22,26,30,40H,5-6,14-15,17-19,23-24H2,1-2H3,(H,39,41,42);7-12,14,16-19,24,26H,3-6,13,15,20H2,1-2H3,(H,39,40,41);2-3,6-9,14-15,17-18,20,24,34H,4-5,10-13,16,19,33H2,1H3,(H,36,37,38);6-12,14-17,19,24,33H,4-5,13,18H2,1-3H3,(H,34,36,37);3-11,13,16-20,32H,12,14-15H2,1-2H3,(H,33,34,35)/b;;26-18-,35-27+;;.
What are the key properties of 6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one?
6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2906.30 g/mol, XLogP of 30.11, 38 rotatable bonds, 10 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[N-[(Z)-2-amino-2-(1-methylpyrrol-2-yl)ethenyl]-C-(chloromethyl)carbonimidoyl]-8-(cyclopropylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-chloro-4-(2-methylpyrazol-3-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)-8-propan-2-ylpyrido[2,3-d]pyrimidin-7-one;8-cyclopentyl-6-[4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)phenyl]-2-[4-(1-methylpyrrolidin-3-yl)oxyanilino]pyrido[2,3-d]pyrimidin-7-one;6-[2-(furan-3-yl)phenyl]-8-propan-2-yl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one;2-[4-[(1-methylpiperidin-3-yl)amino]anilino]-6-(4-methyl-2-pyridin-2-ylphenyl)-8-(oxan-4-ylmethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 158266415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).