About 7-acetyl-3-benzhydryl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(1-benzothiophen-2-ylmethyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(cyclohexanecarbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;(4-bromophenyl) 2-methyl-4-oxo-3-[phenyl(pyridin-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;2-methyl-3-[phenyl(pyridin-2-yl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
7-acetyl-3-benzhydryl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(1-benzothiophen-2-ylmethyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(cyclohexanecarbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;(4-bromophenyl) 2-methyl-4-oxo-3-[phenyl(pyridin-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;2-methyl-3-[phenyl(pyridin-2-yl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 162223027) has the molecular formula C165H154BrF7N20O10S
and a molecular weight of 2822.13 g/mol. Its IUPAC name is 7-acetyl-3-benzhydryl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(1-benzothiophen-2-ylmethyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(cyclohexanecarbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;(4-bromophenyl) 2-methyl-4-oxo-3-[phenyl(pyridin-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;2-methyl-3-[phenyl(pyridin-2-yl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
Frequently Asked Questions
What is the IUPAC name of 7-acetyl-3-benzhydryl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(1-benzothiophen-2-ylmethyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(cyclohexanecarbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;(4-bromophenyl) 2-methyl-4-oxo-3-[phenyl(pyridin-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;2-methyl-3-[phenyl(pyridin-2-yl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-acetyl-3-benzhydryl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(1-benzothiophen-2-ylmethyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(cyclohexanecarbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;(4-bromophenyl) 2-methyl-4-oxo-3-[phenyl(pyridin-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;2-methyl-3-[phenyl(pyridin-2-yl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 162223027) is 7-acetyl-3-benzhydryl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(1-benzothiophen-2-ylmethyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(cyclohexanecarbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;(4-bromophenyl) 2-methyl-4-oxo-3-[phenyl(pyridin-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;2-methyl-3-[phenyl(pyridin-2-yl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-acetyl-3-benzhydryl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(1-benzothiophen-2-ylmethyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(cyclohexanecarbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;(4-bromophenyl) 2-methyl-4-oxo-3-[phenyl(pyridin-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;2-methyl-3-[phenyl(pyridin-2-yl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-acetyl-3-benzhydryl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(1-benzothiophen-2-ylmethyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(cyclohexanecarbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;(4-bromophenyl) 2-methyl-4-oxo-3-[phenyl(pyridin-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;2-methyl-3-[phenyl(pyridin-2-yl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CC(=O)N1CCc2c(nc(C)n(C(c3ccccc3)c3ccccc3)c2=O)C1.Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(C(=O)C1CCCCC1)C2.Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(Cc1cc3ccccc3s1)C2.Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccc1)CCN(Cc1ccc(C(F)(F)F)cc1F)C2.Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccn1)CCN(C(=O)Oc1ccc(Br)cc1)C2.Cc1nc2c(c(=O)n1C(c1ccccc1)c1ccccn1)CCN(Cc1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of 7-acetyl-3-benzhydryl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(1-benzothiophen-2-ylmethyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(cyclohexanecarbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;(4-bromophenyl) 2-methyl-4-oxo-3-[phenyl(pyridin-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;2-methyl-3-[phenyl(pyridin-2-yl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is ZUJQQUHUMXSXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3OS.C29H25F4N3O.C28H25F3N4O.C28H31N3O2.C27H23BrN4O3.C23H23N3O2/c1-21-31-27-20-32(19-25-18-24-14-8-9-15-28(24)35-25)17-16-26(27)30(34)33(21)29(22-10-4-2-5-11-22)23-12-6-3-7-13-23;1-19-34-26-18-35(17-22-12-13-23(16-25(22)30)29(31,32)33)15-14-24(26)28(37)36(19)27(20-8-4-2-5-9-20)21-10-6-3-7-11-21;1-19-33-25-18-34(17-20-10-12-22(13-11-20)28(29,30)31)16-14-23(25)27(36)35(19)26(21-7-3-2-4-8-21)24-9-5-6-15-32-24;1-20-29-25-19-30(27(32)23-15-9-4-10-16-23)18-17-24(25)28(33)31(20)26(21-11-5-2-6-12-21)22-13-7-3-8-14-22;1-18-30-24-17-31(27(34)35-21-12-10-20(28)11-13-21)16-14-22(24)26(33)32(18)25(19-7-3-2-4-8-19)23-9-5-6-15-29-23;1-16-24-21-15-25(17(2)27)14-13-20(21)23(28)26(16)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h2-15,18,29H,16-17,19-20H2,1H3;2-13,16,27H,14-15,17-18H2,1H3;2-13,15,26H,14,16-18H2,1H3;2-3,5-8,11-14,23,26H,4,9-10,15-19H2,1H3;2-13,15,25H,14,16-17H2,1H3;3-12,22H,13-15H2,1-2H3.
What are the key properties of 7-acetyl-3-benzhydryl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(1-benzothiophen-2-ylmethyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(cyclohexanecarbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;(4-bromophenyl) 2-methyl-4-oxo-3-[phenyl(pyridin-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;2-methyl-3-[phenyl(pyridin-2-yl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-acetyl-3-benzhydryl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(1-benzothiophen-2-ylmethyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(cyclohexanecarbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;(4-bromophenyl) 2-methyl-4-oxo-3-[phenyl(pyridin-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;2-methyl-3-[phenyl(pyridin-2-yl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 2822.13 g/mol, XLogP of 29.68, 26 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-3-benzhydryl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(1-benzothiophen-2-ylmethyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-(cyclohexanecarbonyl)-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;3-benzhydryl-7-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one;(4-bromophenyl) 2-methyl-4-oxo-3-[phenyl(pyridin-2-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate;2-methyl-3-[phenyl(pyridin-2-yl)methyl]-7-[[4-(trifluoromethyl)phenyl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 162223027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).