About 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydrothiophen-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one
6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydrothiophen-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 161198339) has the molecular formula C155H154F3N43O9S3
and a molecular weight of 2916.42 g/mol. Its IUPAC name is 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydrothiophen-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.
Frequently Asked Questions
What is the IUPAC name of 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydrothiophen-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydrothiophen-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 161198339) is 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydrothiophen-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydrothiophen-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydrothiophen-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is CN1CCC(Nc2ccc(Nc3ncc4cc(-c5nc(-c6nnnn6C)cn5C)c(=O)n(CC(F)(F)F)c4n3)cc2)C1.Cc1c(-c2cc3cnc(Nc4ccc(C5CN(C)CCO5)cc4)nc3n(C3=NC=CC3)c2=O)ncn1C1=CCC=C1.Cc1cc(-c2ccsc2)cnc1-c1cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n(CC2CCOCC2)c1=O.Cc1cc(-c2nccs2)ccc1-c1cc2cnc(Nc3ccc(OC4CCCNC4)cc3)nc2n(CC2CC=CS2)c1=O.Cn1cnc(-c2ncc(-c3cc4cnc(Nc5ccc(NC6CCNCC6)cc5)nc4n(-c4ccccc4)c3=O)cn2)n1.
What is the InChIKey of 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydrothiophen-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UUQOGSQMKGRKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H36N6O3S.C33H32N6O2S2.C31H29N11O.C31H30N8O2.C26H27F3N12O/c1-22-16-25(24-10-15-44-21-24)18-36-31(22)30-17-26-19-37-34(39-32(26)40(33(30)41)20-23-8-13-42-14-9-23)38-27-2-4-28(5-3-27)43-29-6-11-35-12-7-29;1-21-16-22(31-35-13-15-43-31)6-11-28(21)29-17-23-18-36-33(38-30(23)39(32(29)40)20-27-5-3-14-42-27)37-24-7-9-25(10-8-24)41-26-4-2-12-34-19-26;1-41-19-36-28(40-41)27-33-17-21(18-34-27)26-15-20-16-35-31(39-29(20)42(30(26)43)25-5-3-2-4-6-25)38-23-9-7-22(8-10-23)37-24-11-13-32-14-12-24;1-20-28(34-19-38(20)24-6-3-4-7-24)25-16-22-17-33-31(36-29(22)39(30(25)40)27-8-5-13-32-27)35-23-11-9-21(10-12-23)26-18-37(2)14-15-41-26;1-38-9-8-18(12-38)31-16-4-6-17(7-5-16)32-25-30-11-15-10-19(24(42)41(21(15)34-25)14-26(27,28)29)22-33-20(13-39(22)2)23-35-36-37-40(23)3/h2-5,10,15-19,21,23,29,35H,6-9,11-14,20H2,1H3,(H,37,38,39);3,6-11,13-18,26-27,34H,2,4-5,12,19-20H2,1H3,(H,36,37,38);2-10,15-19,24,32,37H,11-14H2,1H3,(H,35,38,39);3,5-7,9-13,16-17,19,26H,4,8,14-15,18H2,1-2H3,(H,33,35,36);4-7,10-11,13,18,31H,8-9,12,14H2,1-3H3,(H,30,32,34).
What are the key properties of 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydrothiophen-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one?
6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydrothiophen-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 2916.42 g/mol, XLogP of 24.40, 35 rotatable bonds, 10 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopenta-1,4-dien-1-yl-5-methylimidazol-4-yl)-2-[4-(4-methylmorpholin-2-yl)anilino]-8-(3H-pyrrol-2-yl)pyrido[2,3-d]pyrimidin-7-one;8-(2,3-dihydrothiophen-2-ylmethyl)-6-[2-methyl-4-(1,3-thiazol-2-yl)phenyl]-2-(4-piperidin-3-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[1-methyl-4-(1-methyltetrazol-5-yl)imidazol-2-yl]-2-[4-[(1-methylpyrrolidin-3-yl)amino]anilino]-8-(2,2,2-trifluoroethyl)pyrido[2,3-d]pyrimidin-7-one;6-(3-methyl-5-thiophen-3-yl-2-pyridinyl)-8-(oxan-4-ylmethyl)-2-(4-piperidin-4-yloxyanilino)pyrido[2,3-d]pyrimidin-7-one;6-[2-(1-methyl-1,2,4-triazol-3-yl)pyrimidin-5-yl]-8-phenyl-2-[4-(piperidin-4-ylamino)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 161198339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).