C126H93Cl6F14N33O6 — CID 158837546
2-amino-5-[3-chloro-5-(2-fluoro-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(2-methyl-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-pyrazin-2-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-pyridazin-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-chlorophenyl]pyridine-3-carbonitrile (PubChem CID 158837546) has the molecular formula C126H93Cl6F14N33O6 and a molecular weight of 2644.04 g/mol. Its IUPAC name is 2-amino-5-[3-chloro-5-(2-fluoro-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(2-methyl-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-pyrazin-2-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-pyridazin-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-chlorophenyl]pyridine-3-carbonitrile.
| Compound Name | 2-amino-5-[3-chloro-5-(2-fluoro-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(2-methyl-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-pyrazin-2-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-pyridazin-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-chlorophenyl]pyridine-3-carbonitrile |
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| PubChem CID | 158837546 |
| Molecular Formula | C126H93Cl6F14N33O6 |
| Molecular Weight | 2644.04 g/mol |
| Exact Mass | 2639.59 |
| IUPAC Name | 2-amino-5-[3-chloro-5-(2-fluoro-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(5-fluoro-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-[3-chloro-5-(2-methyl-3-pyridinyl)phenyl]-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-pyrazin-2-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;2-amino-5-(3-chloro-5-pyridazin-3-ylphenyl)-5-[2-(difluoromethyl)-4-pyridinyl]-3-methylimidazol-4-one;5-[3-[2-amino-4-[2-(difluoromethyl)-4-pyridinyl]-1-methyl-5-oxoimidazol-4-yl]-5-chlorophenyl]pyridine-3-carbonitrile |
| SMILES | CN1C(=O)C(c2cc(Cl)cc(-c3cccnc3F)c2)(c2ccnc(C(F)F)c2)N=C1N.CN1C(=O)C(c2cc(Cl)cc(-c3cccnn3)c2)(c2ccnc(C(F)F)c2)N=C1N.CN1C(=O)C(c2cc(Cl)cc(-c3cncc(C#N)c3)c2)(c2ccnc(C(F)F)c2)N=C1N.CN1C(=O)C(c2cc(Cl)cc(-c3cncc(F)c3)c2)(c2ccnc(C(F)F)c2)N=C1N.CN1C(=O)C(c2cc(Cl)cc(-c3cnccn3)c2)(c2ccnc(C(F)F)c2)N=C1N.Cc1ncccc1-c1cc(Cl)cc(C2(c3ccnc(C(F)F)c3)N=C(N)N(C)C2=O)c1 |
| InChI | InChI=1S/C22H15ClF2N6O.C22H18ClF2N5O.2C21H15ClF3N5O.2C20H15ClF2N6O/c1-31-20(32)22(30-21(31)27,15-2-3-29-18(8-15)19(24)25)16-5-13(6-17(23)7-16)14-4-12(9-26)10-28-11-14;1-12-17(4-3-6-27-12)13-8-15(10-16(23)9-13)22(20(31)30(2)21(26)29-22)14-5-7-28-18(11-14)19(24)25;1-30-19(31)21(29-20(30)26,13-2-3-28-17(8-13)18(24)25)14-4-11(5-15(22)7-14)12-6-16(23)10-27-9-12;1-30-19(31)21(29-20(30)26,12-4-6-27-16(10-12)17(23)24)13-7-11(8-14(22)9-13)15-3-2-5-28-18(15)25;1-29-18(30)20(28-19(29)24,12-2-3-26-15(9-12)17(22)23)13-6-11(7-14(21)8-13)16-10-25-4-5-27-16;1-29-18(30)20(27-19(29)24,12-4-6-25-16(10-12)17(22)23)13-7-11(8-14(21)9-13)15-3-2-5-26-28-15/h2-8,10-11,19H,1H3,(H2,27,30);3-11,19H,1-2H3,(H2,26,29);2-10,18H,1H3,(H2,26,29);2-10,17H,1H3,(H2,26,29);2-10,17H,1H3,(H2,24,28);2-10,17H,1H3,(H2,24,27) |
| InChIKey | IXVCVKNDDTTWHP-UHFFFAOYSA-N |
| XLogP | 21.84 |
| TPSA | 556.39 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 185 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2644.04 |
| LogP ≤ 5 | 21.84 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 33 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'} |
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