C124H143F4N19O19 — CID 162279331
7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;6-[2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;6-[2-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;3,5-dihydroxy-7-[2-(1-hydroxycyclopropyl)-5-phenyl-4-pyridin-4-ylimidazol-1-yl]heptanoic acid (PubChem CID 162279331) has the molecular formula C124H143F4N19O19 and a molecular weight of 2279.61 g/mol. Its IUPAC name is 7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;6-[2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;6-[2-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;3,5-dihydroxy-7-[2-(1-hydroxycyclopropyl)-5-phenyl-4-pyridin-4-ylimidazol-1-yl]heptanoic acid.
| Compound Name | 7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;6-[2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;6-[2-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;3,5-dihydroxy-7-[2-(1-hydroxycyclopropyl)-5-phenyl-4-pyridin-4-ylimidazol-1-yl]heptanoic acid |
|---|---|
| PubChem CID | 162279331 |
| Molecular Formula | C124H143F4N19O19 |
| Molecular Weight | 2279.61 g/mol |
| Exact Mass | 2278.07 |
| IUPAC Name | 7-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]-3,5-dihydroxyhept-6-enoic acid;6-[2-[2-tert-butyl-5-(4-fluorophenyl)-4-[2-(methylamino)pyrimidin-4-yl]imidazol-1-yl]ethenyl]-4-hydroxyoxan-2-one;7-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]-3,5-dihydroxyheptanoic acid;6-[2-[2-tert-butyl-5-(4-fluorophenyl)-4-pyridin-4-ylimidazol-1-yl]ethyl]-4-hydroxyoxan-2-one;3,5-dihydroxy-7-[2-(1-hydroxycyclopropyl)-5-phenyl-4-pyridin-4-ylimidazol-1-yl]heptanoic acid |
| SMILES | CC(C)(C)c1nc(-c2ccncc2)c(-c2ccc(F)cc2)n1CCC(O)CC(O)CC(=O)O.CC(C)(C)c1nc(-c2ccncc2)c(-c2ccc(F)cc2)n1CCC1CC(O)CC(=O)O1.CNc1nccc(-c2nc(C(C)(C)C)n(C=CC(O)CC(O)CC(=O)O)c2-c2ccc(F)cc2)n1.CNc1nccc(-c2nc(C(C)(C)C)n(C=CC3CC(O)CC(=O)O3)c2-c2ccc(F)cc2)n1.O=C(O)CC(O)CC(O)CCn1c(C2(O)CC2)nc(-c2ccncc2)c1-c1ccccc1 |
| InChI | InChI=1S/C25H30FN5O4.C25H28FN5O3.C25H30FN3O4.C25H28FN3O3.C24H27N3O5/c1-25(2,3)23-30-21(19-9-11-28-24(27-4)29-19)22(15-5-7-16(26)8-6-15)31(23)12-10-17(32)13-18(33)14-20(34)35;1-25(2,3)23-30-21(19-9-11-28-24(27-4)29-19)22(15-5-7-16(26)8-6-15)31(23)12-10-18-13-17(32)14-20(33)34-18;1-25(2,3)24-28-22(16-8-11-27-12-9-16)23(17-4-6-18(26)7-5-17)29(24)13-10-19(30)14-20(31)15-21(32)33;1-25(2,3)24-28-22(16-8-11-27-12-9-16)23(17-4-6-18(26)7-5-17)29(24)13-10-20-14-19(30)15-21(31)32-20;28-18(14-19(29)15-20(30)31)8-13-27-22(17-4-2-1-3-5-17)21(16-6-11-25-12-7-16)26-23(27)24(32)9-10-24/h5-12,17-18,32-33H,13-14H2,1-4H3,(H,34,35)(H,27,28,29);5-12,17-18,32H,13-14H2,1-4H3,(H,27,28,29);4-9,11-12,19-20,30-31H,10,13-15H2,1-3H3,(H,32,33);4-9,11-12,19-20,30H,10,13-15H2,1-3H3;1-7,11-12,18-19,28-29,32H,8-10,13-15H2,(H,30,31) |
| InChIKey | YWXUYNRIRKQEFA-UHFFFAOYSA-N |
| XLogP | 18.67 |
| TPSA | 549.96 Ų |
| H-Bond Donors | 14 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 166 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2279.61 |
| LogP ≤ 5 | 18.67 |
| H-Bond Donors ≤ 5 | 14 |
| H-Bond Acceptors ≤ 10 | 35 |