C252H172F52N62O12S — CID 160818942
2-amino-5-[3-fluoro-5-(2-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(4-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-phenylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyrazin-2-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyridazin-3-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyridazin-4-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyridin-2-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;3-[3-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-fluorophenyl]benzonitrile;5-[3-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-fluorophenyl]pyridine-3-carbonitrile (PubChem CID 160818942) has the molecular formula C252H172F52N62O12S and a molecular weight of 5280.53 g/mol. Its IUPAC name is 2-amino-5-[3-fluoro-5-(2-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(4-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-phenylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyrazin-2-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyridazin-3-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyridazin-4-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyridin-2-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;3-[3-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-fluorophenyl]benzonitrile;5-[3-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-fluorophenyl]pyridine-3-carbonitrile.
| Compound Name | 2-amino-5-[3-fluoro-5-(2-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(4-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-phenylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyrazin-2-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyridazin-3-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyridazin-4-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyridin-2-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;3-[3-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-fluorophenyl]benzonitrile;5-[3-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-fluorophenyl]pyridine-3-carbonitrile |
|---|---|
| PubChem CID | 160818942 |
| Molecular Formula | C252H172F52N62O12S |
| Molecular Weight | 5280.53 g/mol |
| Exact Mass | 5277.36 |
| IUPAC Name | 2-amino-5-[3-fluoro-5-(2-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(4-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-phenylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyrazin-2-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyridazin-3-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyridazin-4-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(3-fluoro-5-pyridin-2-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;3-[3-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-fluorophenyl]benzonitrile;5-[3-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-5-fluorophenyl]pyridine-3-carbonitrile |
| SMILES | CN1C(=O)C(c2cc(F)cc(-c3ccc(F)cc3)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2cc(F)cc(-c3cccc(C#N)c3)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2cc(F)cc(-c3ccccc3)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2cc(F)cc(-c3ccccc3F)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2cc(F)cc(-c3ccccn3)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2cc(F)cc(-c3cccnn3)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2cc(F)cc(-c3ccnnc3)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2cc(F)cc(-c3cnc(F)nc3)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2cc(F)cc(-c3cncc(C#N)c3)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2cc(F)cc(-c3cncc(F)c3)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2cc(F)cc(-c3cnccn3)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2cc(F)cc(-c3cscn3)c2)(c2ccnc(C(F)(F)F)c2)N=C1N |
| InChI | InChI=1S/C23H15F4N5O.2C22H15F5N4O.C22H14F4N6O.C22H16F4N4O.C21H14F5N5O.C21H15F4N5O.C20H13F5N6O.3C20H14F4N6O.C19H13F4N5OS/c1-32-20(33)22(31-21(32)29,16-5-6-30-19(11-16)23(25,26)27)17-8-15(9-18(24)10-17)14-4-2-3-13(7-14)12-28;1-31-19(32)21(30-20(31)28,14-6-7-29-18(11-14)22(25,26)27)15-8-13(9-17(24)10-15)12-2-4-16(23)5-3-12;1-31-19(32)21(30-20(31)28,13-6-7-29-18(11-13)22(25,26)27)14-8-12(9-15(23)10-14)16-4-2-3-5-17(16)24;1-32-19(33)21(31-20(32)28,15-2-3-30-18(8-15)22(24,25)26)16-5-13(6-17(23)7-16)14-4-12(9-27)10-29-11-14;1-30-19(31)21(29-20(30)27,15-7-8-28-18(12-15)22(24,25)26)16-9-14(10-17(23)11-16)13-5-3-2-4-6-13;1-31-18(32)20(30-19(31)27,13-2-3-29-17(8-13)21(24,25)26)14-4-11(5-15(22)7-14)12-6-16(23)10-28-9-12;1-30-18(31)20(29-19(30)26,13-5-7-28-17(11-13)21(23,24)25)14-8-12(9-15(22)10-14)16-4-2-3-6-27-16;1-31-16(32)19(30-18(31)26,12-2-3-27-15(7-12)20(23,24)25)13-4-10(5-14(21)6-13)11-8-28-17(22)29-9-11;1-30-17(31)19(29-18(30)25,13-3-4-26-16(9-13)20(22,23)24)14-6-12(7-15(21)8-14)11-2-5-27-28-10-11;1-30-17(31)19(29-18(30)25,12-2-3-28-16(9-12)20(22,23)24)13-6-11(7-14(21)8-13)15-10-26-4-5-27-15;1-30-17(31)19(28-18(30)25,12-4-6-26-16(10-12)20(22,23)24)13-7-11(8-14(21)9-13)15-3-2-5-27-29-15;1-28-16(29)18(27-17(28)24,11-2-3-25-15(7-11)19(21,22)23)12-4-10(5-13(20)6-12)14-8-30-9-26-14/h2-11H,1H3,(H2,29,31);2*2-11H,1H3,(H2,28,30);2-8,10-11H,1H3,(H2,28,31);2-12H,1H3,(H2,27,29);2-10H,1H3,(H2,27,30);2-11H,1H3,(H2,26,29);2-9H,1H3,(H2,26,30);2*2-10H,1H3,(H2,25,29);2-10H,1H3,(H2,25,28);2-9H,1H3,(H2,24,27) |
| InChIKey | SFGXECYRRDZIHC-UHFFFAOYSA-N |
| XLogP | 40.34 |
| TPSA | 1061.22 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 63 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 379 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5280.53 |
| LogP ≤ 5 | 40.34 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 63 |