C258H185F52N61O12 — CID 158825599
2-amino-5-[2-fluoro-5-(2-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(4-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-phenylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyrazin-2-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-4-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridin-2-ylphenyl)-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]-4-fluorophenyl]benzonitrile;5-[3-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-4-fluorophenyl]pyridine-3-carbonitrile;methane (PubChem CID 158825599) has the molecular formula C258H185F52N61O12 and a molecular weight of 5319.63 g/mol. Its IUPAC name is 2-amino-5-[2-fluoro-5-(2-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(4-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-phenylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyrazin-2-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-4-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridin-2-ylphenyl)-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]-4-fluorophenyl]benzonitrile;5-[3-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-4-fluorophenyl]pyridine-3-carbonitrile;methane.
| Compound Name | 2-amino-5-[2-fluoro-5-(2-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(4-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-phenylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyrazin-2-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-4-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridin-2-ylphenyl)-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]-4-fluorophenyl]benzonitrile;5-[3-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-4-fluorophenyl]pyridine-3-carbonitrile;methane |
|---|---|
| PubChem CID | 158825599 |
| Molecular Formula | C258H185F52N61O12 |
| Molecular Weight | 5319.63 g/mol |
| Exact Mass | 5316.49 |
| IUPAC Name | 2-amino-5-[2-fluoro-5-(2-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(4-fluorophenyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-phenylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyrazin-2-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-4-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridin-2-ylphenyl)-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]-4-fluorophenyl]benzonitrile;5-[3-[2-amino-1-methyl-5-oxo-4-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-yl]-4-fluorophenyl]pyridine-3-carbonitrile;methane |
| SMILES | C.C.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3ccc(F)cc3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3cccc(C#N)c3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3ccccc3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3ccccc3F)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3ccccn3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3cccnc3F)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3cccnn3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3ccnnc3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3cncc(C#N)c3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3cncc(F)c3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3cnccn3)ccc2F)N=C1N.Cc1ncccc1-c1ccc(F)c(C2(c3ccnc(C(F)(F)F)c3)N=C(N)N(C)C2=O)c1 |
| InChI | InChI=1S/C23H15F4N5O.2C22H15F5N4O.C22H14F4N6O.C22H17F4N5O.C22H16F4N4O.2C21H14F5N5O.C21H15F4N5O.3C20H14F4N6O.2CH4/c1-32-20(33)22(31-21(32)29,16-7-8-30-19(11-16)23(25,26)27)17-10-15(5-6-18(17)24)14-4-2-3-13(9-14)12-28;1-31-19(32)21(30-20(31)28,14-8-9-29-18(11-14)22(25,26)27)16-10-13(4-7-17(16)24)12-2-5-15(23)6-3-12;1-31-19(32)21(30-20(31)28,13-8-9-29-18(11-13)22(25,26)27)15-10-12(6-7-17(15)24)14-4-2-3-5-16(14)23;1-32-19(33)21(31-20(32)28,15-4-5-30-18(8-15)22(24,25)26)16-7-13(2-3-17(16)23)14-6-12(9-27)10-29-11-14;1-12-15(4-3-8-28-12)13-5-6-17(23)16(10-13)21(19(32)31(2)20(27)30-21)14-7-9-29-18(11-14)22(24,25)26;1-30-19(31)21(29-20(30)27,15-9-10-28-18(12-15)22(24,25)26)16-11-14(7-8-17(16)23)13-5-3-2-4-6-13;1-31-18(32)20(30-19(31)27,13-4-5-29-17(8-13)21(24,25)26)15-7-11(2-3-16(15)23)12-6-14(22)10-28-9-12;1-31-18(32)20(30-19(31)27,12-6-8-28-16(10-12)21(24,25)26)14-9-11(4-5-15(14)22)13-3-2-7-29-17(13)23;1-30-18(31)20(29-19(30)26,13-7-9-28-17(11-13)21(23,24)25)14-10-12(5-6-15(14)22)16-4-2-3-8-27-16;1-30-17(31)19(29-18(30)25,13-5-6-26-16(9-13)20(22,23)24)14-8-11(2-3-15(14)21)12-4-7-27-28-10-12;1-30-17(31)19(29-18(30)25,12-4-5-28-16(9-12)20(22,23)24)13-8-11(2-3-14(13)21)15-10-26-6-7-27-15;1-30-17(31)19(28-18(30)25,12-6-8-26-16(10-12)20(22,23)24)13-9-11(4-5-14(13)21)15-3-2-7-27-29-15;;/h2-11H,1H3,(H2,29,31);2*2-11H,1H3,(H2,28,30);2-8,10-11H,1H3,(H2,28,31);3-11H,1-2H3,(H2,27,30);2-12H,1H3,(H2,27,29);2*2-10H,1H3,(H2,27,30);2-11H,1H3,(H2,26,29);2*2-10H,1H3,(H2,25,29);2-10H,1H3,(H2,25,28);2*1H4 |
| InChIKey | IWKMZQWOGFBDCE-UHFFFAOYSA-N |
| XLogP | 42.47 |
| TPSA | 1048.33 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 61 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 383 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5319.63 |
| LogP ≤ 5 | 42.47 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 61 |