C124H85F25N34O6 — CID 158250509
2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyrazin-2-ylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-4-ylphenyl)-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridin-2-ylphenyl)-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;5-[3-[2-amino-1-methyl-5-oxo-4-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]-4-fluorophenyl]pyridine-3-carbonitrile (PubChem CID 158250509) has the molecular formula C124H85F25N34O6 and a molecular weight of 2622.23 g/mol. Its IUPAC name is 2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyrazin-2-ylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-4-ylphenyl)-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridin-2-ylphenyl)-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;5-[3-[2-amino-1-methyl-5-oxo-4-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]-4-fluorophenyl]pyridine-3-carbonitrile.
| Compound Name | 2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyrazin-2-ylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-4-ylphenyl)-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridin-2-ylphenyl)-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;5-[3-[2-amino-1-methyl-5-oxo-4-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]-4-fluorophenyl]pyridine-3-carbonitrile |
|---|---|
| PubChem CID | 158250509 |
| Molecular Formula | C124H85F25N34O6 |
| Molecular Weight | 2622.23 g/mol |
| Exact Mass | 2620.70 |
| IUPAC Name | 2-amino-5-[2-fluoro-5-(5-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyrazin-2-ylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-3-ylphenyl)-3-methyl-5-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridazin-4-ylphenyl)-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-pyridin-2-ylphenyl)-3-methyl-5-[4-(trifluoromethyl)-2-pyridinyl]imidazol-4-one;5-[3-[2-amino-1-methyl-5-oxo-4-[5-(trifluoromethyl)-3-pyridinyl]imidazol-4-yl]-4-fluorophenyl]pyridine-3-carbonitrile |
| SMILES | CN1C(=O)C(c2cc(C(F)(F)F)ccn2)(c2cc(-c3ccccn3)ccc2F)N=C1N.CN1C(=O)C(c2cc(C(F)(F)F)ccn2)(c2cc(-c3ccnnc3)ccc2F)N=C1N.CN1C(=O)C(c2cncc(C(F)(F)F)c2)(c2cc(-c3cccnn3)ccc2F)N=C1N.CN1C(=O)C(c2cncc(C(F)(F)F)c2)(c2cc(-c3cncc(C#N)c3)ccc2F)N=C1N.CN1C(=O)C(c2cncc(C(F)(F)F)c2)(c2cc(-c3cncc(F)c3)ccc2F)N=C1N.CN1C(=O)C(c2cncc(C(F)(F)F)c2)(c2cc(-c3cnccn3)ccc2F)N=C1N |
| InChI | InChI=1S/C22H14F4N6O.C21H14F5N5O.C21H15F4N5O.3C20H14F4N6O/c1-32-19(33)21(31-20(32)28,15-6-16(11-30-10-15)22(24,25)26)17-5-13(2-3-18(17)23)14-4-12(7-27)8-29-9-14;1-31-18(32)20(30-19(31)27,13-6-14(9-29-8-13)21(24,25)26)16-5-11(2-3-17(16)23)12-4-15(22)10-28-7-12;1-30-18(31)20(29-19(30)26,17-11-13(7-9-28-17)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)25,16-9-13(5-6-26-16)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)25,12-7-13(9-27-8-12)20(22,23)24)14-6-11(2-3-15(14)21)16-10-26-4-5-28-16;1-30-17(31)19(28-18(30)25,12-8-13(10-26-9-12)20(22,23)24)14-7-11(4-5-15(14)21)16-3-2-6-27-29-16/h2-6,8-11H,1H3,(H2,28,31);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) |
| InChIKey | GGQRGMPSISWCBX-UHFFFAOYSA-N |
| XLogP | 18.19 |
| TPSA | 569.28 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 34 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 189 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2622.23 |
| LogP ≤ 5 | 18.19 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 34 |