C247H182F39N59O14S2 — CID 157227210
2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(4-fluorophenyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(furan-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-phenylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-pyrazin-2-ylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-pyridazin-3-ylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-pyridazin-4-ylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-thiophen-3-ylphenyl)-3-methylimidazol-4-one;3-[5-[2-amino-4-[5-(difluoromethyl)-3-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-fluorophenyl]benzonitrile (PubChem CID 157227210) has the molecular formula C247H182F39N59O14S2 and a molecular weight of 5005.63 g/mol. Its IUPAC name is 2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(4-fluorophenyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(furan-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-phenylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-pyrazin-2-ylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-pyridazin-3-ylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-pyridazin-4-ylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-thiophen-3-ylphenyl)-3-methylimidazol-4-one;3-[5-[2-amino-4-[5-(difluoromethyl)-3-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-fluorophenyl]benzonitrile.
| Compound Name | 2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(4-fluorophenyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(furan-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-phenylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-pyrazin-2-ylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-pyridazin-3-ylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-pyridazin-4-ylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-thiophen-3-ylphenyl)-3-methylimidazol-4-one;3-[5-[2-amino-4-[5-(difluoromethyl)-3-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-fluorophenyl]benzonitrile |
|---|---|
| PubChem CID | 157227210 |
| Molecular Formula | C247H182F39N59O14S2 |
| Molecular Weight | 5005.63 g/mol |
| Exact Mass | 5002.42 |
| IUPAC Name | 2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(2-fluorophenyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(4-fluorophenyl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(2-fluoropyrimidin-5-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(furan-3-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(1,3-oxazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-phenylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-pyrazin-2-ylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-pyridazin-3-ylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-pyridazin-4-ylphenyl)-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-[4-fluoro-3-(1,3-thiazol-4-yl)phenyl]-3-methylimidazol-4-one;2-amino-5-[5-(difluoromethyl)-3-pyridinyl]-5-(4-fluoro-3-thiophen-3-ylphenyl)-3-methylimidazol-4-one;3-[5-[2-amino-4-[5-(difluoromethyl)-3-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-2-fluorophenyl]benzonitrile |
| SMILES | CN1C(=O)C(c2cncc(C(F)F)c2)(c2ccc(F)c(-c3ccc(F)cc3)c2)N=C1N.CN1C(=O)C(c2cncc(C(F)F)c2)(c2ccc(F)c(-c3cccc(C#N)c3)c2)N=C1N.CN1C(=O)C(c2cncc(C(F)F)c2)(c2ccc(F)c(-c3ccccc3)c2)N=C1N.CN1C(=O)C(c2cncc(C(F)F)c2)(c2ccc(F)c(-c3ccccc3F)c2)N=C1N.CN1C(=O)C(c2cncc(C(F)F)c2)(c2ccc(F)c(-c3cccnn3)c2)N=C1N.CN1C(=O)C(c2cncc(C(F)F)c2)(c2ccc(F)c(-c3ccnnc3)c2)N=C1N.CN1C(=O)C(c2cncc(C(F)F)c2)(c2ccc(F)c(-c3ccoc3)c2)N=C1N.CN1C(=O)C(c2cncc(C(F)F)c2)(c2ccc(F)c(-c3ccsc3)c2)N=C1N.CN1C(=O)C(c2cncc(C(F)F)c2)(c2ccc(F)c(-c3cnc(F)nc3)c2)N=C1N.CN1C(=O)C(c2cncc(C(F)F)c2)(c2ccc(F)c(-c3cnccn3)c2)N=C1N.CN1C(=O)C(c2cncc(C(F)F)c2)(c2ccc(F)c(-c3cocn3)c2)N=C1N.CN1C(=O)C(c2cncc(C(F)F)c2)(c2ccc(F)c(-c3cscn3)c2)N=C1N |
| InChI | InChI=1S/C23H16F3N5O.2C22H16F4N4O.C22H17F3N4O.C20H14F4N6O.3C20H15F3N6O.C20H15F3N4O2.C20H15F3N4OS.C19H14F3N5O2.C19H14F3N5OS/c1-31-21(32)23(30-22(31)28,17-8-15(20(25)26)11-29-12-17)16-5-6-19(24)18(9-16)14-4-2-3-13(7-14)10-27;1-30-20(31)22(29-21(30)27,15-8-13(19(25)26)10-28-11-15)14-4-7-18(24)17(9-14)12-2-5-16(23)6-3-12;1-30-20(31)22(29-21(30)27,14-8-12(19(25)26)10-28-11-14)13-6-7-18(24)16(9-13)15-4-2-3-5-17(15)23;1-29-20(30)22(28-21(29)26,16-9-14(19(24)25)11-27-12-16)15-7-8-18(23)17(10-15)13-5-3-2-4-6-13;1-30-17(31)20(29-19(30)25,13-4-10(16(22)23)6-26-9-13)12-2-3-15(21)14(5-12)11-7-27-18(24)28-8-11;1-29-18(30)20(28-19(29)24,13-6-11(17(22)23)8-26-9-13)12-2-3-15(21)14(7-12)16-10-25-4-5-27-16;1-29-18(30)20(28-19(29)24,14-6-12(17(22)23)8-25-10-14)13-2-3-16(21)15(7-13)11-4-5-26-27-9-11;1-29-18(30)20(27-19(29)24,13-7-11(17(22)23)9-25-10-13)12-4-5-15(21)14(8-12)16-3-2-6-26-28-16;2*1-27-18(28)20(26-19(27)24,14-6-12(17(22)23)8-25-9-14)13-2-3-16(21)15(7-13)11-4-5-29-10-11;2*1-27-17(28)19(26-18(27)23,12-4-10(16(21)22)6-24-7-12)11-2-3-14(20)13(5-11)15-8-29-9-25-15/h2-9,11-12,20H,1H3,(H2,28,30);2*2-11,19H,1H3,(H2,27,29);2-12,19H,1H3,(H2,26,28);2-9,16H,1H3,(H2,25,29);2*2-10,17H,1H3,(H2,24,28);2-10,17H,1H3,(H2,24,27);2*2-10,17H,1H3,(H2,24,26);2*2-9,16H,1H3,(H2,23,26) |
| InChIKey | ATRIHSOKELFEOK-UHFFFAOYSA-N |
| XLogP | 39.82 |
| TPSA | 1037.93 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 63 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 361 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5005.63 |
| LogP ≤ 5 | 39.82 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 63 |