C238H167F50N61O16S3 — CID 161434547
2-amino-5-[3-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one (PubChem CID 161434547) has the molecular formula C238H167F50N61O16S3 and a molecular weight of 5183.47 g/mol. Its IUPAC name is 2-amino-5-[3-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one.
| Compound Name | 2-amino-5-[3-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one |
|---|---|
| PubChem CID | 161434547 |
| Molecular Formula | C238H167F50N61O16S3 |
| Molecular Weight | 5183.47 g/mol |
| Exact Mass | 5180.25 |
| IUPAC Name | 2-amino-5-[3-fluoro-5-(2-fluoro-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-fluoropyrimidin-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(furan-3-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[3-fluoro-5-(2-methyl-3-pyridinyl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(2-methylpyrimidin-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,2-oxazol-3-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-4-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-oxazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1H-pyrazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-4-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one;2-amino-5-(2-fluoro-5-thiophen-3-ylphenyl)-3-methyl-5-[2-(trifluoromethyl)-4-pyridinyl]imidazol-4-one |
| SMILES | CN1C(=O)C(c2cc(F)cc(-c3cccnc3F)c2)(c2ccnc(C(F)(F)F)c2)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3ccn[nH]3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3ccoc3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3ccon3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3ccsc3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3cnc(F)nc3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3cnco3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3cncs3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3cocn3)ccc2F)N=C1N.CN1C(=O)C(c2ccnc(C(F)(F)F)c2)(c2cc(-c3cscn3)ccc2F)N=C1N.Cc1ncc(-c2ccc(F)c(C3(c4ccnc(C(F)(F)F)c4)N=C(N)N(C)C3=O)c2)cn1.Cc1ncccc1-c1cc(F)cc(C2(c3ccnc(C(F)(F)F)c3)N=C(N)N(C)C2=O)c1 |
| InChI | InChI=1S/C22H17F4N5O.C21H14F5N5O.C21H16F4N6O.C20H13F5N6O.C20H14F4N4O2.C20H14F4N4OS.C19H14F4N6O.3C19H13F4N5O2.2C19H13F4N5OS/c1-12-17(4-3-6-28-12)13-8-15(10-16(23)9-13)21(19(32)31(2)20(27)30-21)14-5-7-29-18(11-14)22(24,25)26;1-31-18(32)20(30-19(31)27,12-4-6-28-16(10-12)21(24,25)26)13-7-11(8-14(22)9-13)15-3-2-5-29-17(15)23;1-11-28-9-13(10-29-11)12-3-4-16(22)15(7-12)20(18(32)31(2)19(26)30-20)14-5-6-27-17(8-14)21(23,24)25;1-31-16(32)19(30-18(31)26,12-4-5-27-15(7-12)20(23,24)25)13-6-10(2-3-14(13)21)11-8-28-17(22)29-9-11;2*1-28-17(29)19(27-18(28)25,13-4-6-26-16(9-13)20(22,23)24)14-8-11(2-3-15(14)21)12-5-7-30-10-12;1-29-16(30)18(27-17(29)24,11-4-6-25-15(9-11)19(21,22)23)12-8-10(2-3-13(12)20)14-5-7-26-28-14;1-28-16(29)18(26-17(28)24,11-4-6-25-15(9-11)19(21,22)23)12-8-10(2-3-13(12)20)14-5-7-30-27-14;1-28-16(29)18(27-17(28)24,11-4-5-26-15(7-11)19(21,22)23)12-6-10(2-3-13(12)20)14-8-25-9-30-14;1-28-16(29)18(27-17(28)24,11-4-5-25-15(7-11)19(21,22)23)12-6-10(2-3-13(12)20)14-8-30-9-26-14;1-28-16(29)18(27-17(28)24,11-4-5-26-15(7-11)19(21,22)23)12-6-10(2-3-13(12)20)14-8-25-9-30-14;1-28-16(29)18(27-17(28)24,11-4-5-25-15(7-11)19(21,22)23)12-6-10(2-3-13(12)20)14-8-30-9-26-14/h3-11H,1-2H3,(H2,27,30);2-10H,1H3,(H2,27,30);3-10H,1-2H3,(H2,26,30);2-9H,1H3,(H2,26,30);2*2-10H,1H3,(H2,25,27);2-9H,1H3,(H2,24,27)(H,26,28);2-9H,1H3,(H2,24,26);4*2-9H,1H3,(H2,24,27) |
| InChIKey | VYLVLNTUPNNATB-UHFFFAOYSA-N |
| XLogP | 38.76 |
| TPSA | 1081.99 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 67 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 368 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5183.47 |
| LogP ≤ 5 | 38.76 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 67 |