About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]pyridine-3-carboxamide;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-6-[2-(3-fluoro-4-phenylphenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]pyridine-3-carboxamide;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-6-[2-(3-fluoro-4-phenylphenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one (PubChem CID 159904786) has the molecular formula C126H115Cl2F10N23O8S2
and a molecular weight of 2404.48 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]pyridine-3-carboxamide;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-6-[2-(3-fluoro-4-phenylphenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
Frequently Asked Questions
What is the IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]pyridine-3-carboxamide;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-6-[2-(3-fluoro-4-phenylphenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]pyridine-3-carboxamide;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-6-[2-(3-fluoro-4-phenylphenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one (CID 159904786) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]pyridine-3-carboxamide;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-6-[2-(3-fluoro-4-phenylphenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]pyridine-3-carboxamide;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-6-[2-(3-fluoro-4-phenylphenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]pyridine-3-carboxamide;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-6-[2-(3-fluoro-4-phenylphenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one is CN1C(=O)C(C)(c2cccc(-c3cc(Cl)ccc3CNC(=O)c3cccnc3)c2)N=C1N.CN1C(=O)C(c2ccc(OC(F)(F)F)cc2)[C@@](C)(c2ccc(C#N)s2)N=C1N.CN1C(=O)C[C@@](C)(c2cnc(-c3ccc(-c4ccccc4)c(F)c3)s2)N=C1N.CN1C(=O)[C@@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2cccc(F)c2)N=C1N.CN1C(=O)[C@H](c2ccc(C(C)(F)F)cc2)[C@@](C)(c2cccc(F)c2)N=C1N.NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1c1cccnc1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]pyridine-3-carboxamide;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-6-[2-(3-fluoro-4-phenylphenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
The InChIKey is NWKULYSYSJCAHT-FPUHGBOXSA-N. The full InChI is InChI=1S/C24H22ClN5O2.C23H19ClN4O.C21H19FN4OS.2C20H20F3N3O.C18H15F3N4O2S/c1-24(22(32)30(2)23(26)29-24)18-7-3-5-15(11-18)20-12-19(25)9-8-16(20)14-28-21(31)17-6-4-10-27-13-17;24-19-7-2-5-16(13-19)15-4-1-6-18(12-15)23(17-9-10-17)21(29)28(22(25)27-23)20-8-3-11-26-14-20;1-21(11-18(27)26(2)20(23)25-21)17-12-24-19(28-17)14-8-9-15(16(22)10-14)13-6-4-3-5-7-13;2*1-19(14-5-4-6-15(21)11-14)16(17(27)26(3)18(24)25-19)12-7-9-13(10-8-12)20(2,22)23;1-17(13-8-7-12(9-22)28-13)14(15(26)25(2)16(23)24-17)10-3-5-11(6-4-10)27-18(19,20)21/h3-13H,14H2,1-2H3,(H2,26,29)(H,28,31);1-8,11-14,17H,9-10H2,(H2,25,27);3-10,12H,11H2,1-2H3,(H2,23,25);2*4-11,16H,1-3H3,(H2,24,25);3-8,14H,1-2H3,(H2,23,24)/t;;21-;16-,19+;16-,19-;14?,17-/m..0011/s1.
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]pyridine-3-carboxamide;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-6-[2-(3-fluoro-4-phenylphenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]pyridine-3-carboxamide;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-6-[2-(3-fluoro-4-phenylphenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one has a molecular weight of 2404.48 g/mol, XLogP of 22.46, 21 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-pyridin-3-ylimidazol-4-one;(5S,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;(5R,6S)-2-amino-5-[4-(1,1-difluoroethyl)phenyl]-6-(3-fluorophenyl)-3,6-dimethyl-5H-pyrimidin-4-one;N-[[2-[3-(2-amino-1,4-dimethyl-5-oxoimidazol-4-yl)phenyl]-4-chlorophenyl]methyl]pyridine-3-carboxamide;5-[(4S)-2-amino-1,4-dimethyl-6-oxo-5-[4-(trifluoromethoxy)phenyl]-5H-pyrimidin-4-yl]thiophene-2-carbonitrile;(6S)-2-amino-6-[2-(3-fluoro-4-phenylphenyl)-1,3-thiazol-5-yl]-3,6-dimethyl-5H-pyrimidin-4-one is sourced from PubChem (CID 159904786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).