C162H177F6N43O11S — CID 167560802
N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide (PubChem CID 167560802) has the molecular formula C162H177F6N43O11S and a molecular weight of 3048.54 g/mol. Its IUPAC name is N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide.
| Compound Name | N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide |
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| PubChem CID | 167560802 |
| Molecular Formula | C162H177F6N43O11S |
| Molecular Weight | 3048.54 g/mol |
| Exact Mass | 3046.42 |
| IUPAC Name | N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide |
| SMILES | CC(=O)N1CCN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4C(C)C)[nH]3)cc2)CC1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)C(=O)C3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(CCO)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(S(N)(=O)=O)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1 |
| InChI | InChI=1S/C28H30FN7O2.C28H32FN7O2.C27H28FN7O2.C27H30FN7O.C26H29FN8O3S.C26H28FN7O/c1-18(2)36-17-31-25(20-4-6-21(29)7-5-20)26(36)27-30-16-24(33-27)28(38)32-22-8-10-23(11-9-22)35-14-12-34(13-15-35)19(3)37;1-19(2)36-18-31-25(20-3-5-21(29)6-4-20)26(36)27-30-17-24(33-27)28(38)32-22-7-9-23(10-8-22)35-13-11-34(12-14-35)15-16-37;1-17(2)35-16-30-24(18-4-6-19(28)7-5-18)25(35)26-29-14-22(32-26)27(37)31-20-8-10-21(11-9-20)34-13-12-33(3)23(36)15-34;1-18(2)35-17-30-24(19-4-6-20(28)7-5-19)25(35)26-29-16-23(32-26)27(36)31-21-8-10-22(11-9-21)34-14-12-33(3)13-15-34;1-17(2)35-16-30-23(18-3-5-19(27)6-4-18)24(35)25-29-15-22(32-25)26(36)31-20-7-9-21(10-8-20)33-11-13-34(14-12-33)39(28,37)38;1-17(2)34-16-30-23(18-3-5-19(27)6-4-18)24(34)25-29-15-22(32-25)26(35)31-20-7-9-21(10-8-20)33-13-11-28-12-14-33/h4-11,16-18H,12-15H2,1-3H3,(H,30,33)(H,32,38);3-10,17-19,37H,11-16H2,1-2H3,(H,30,33)(H,32,38);4-11,14,16-17H,12-13,15H2,1-3H3,(H,29,32)(H,31,37);4-11,16-18H,12-15H2,1-3H3,(H,29,32)(H,31,36);3-10,15-17H,11-14H2,1-2H3,(H,29,32)(H,31,36)(H2,28,37,38);3-10,15-17,28H,11-14H2,1-2H3,(H,29,32)(H,31,35) |
| InChIKey | DPZFEKLIEFGTIY-UHFFFAOYSA-N |
| XLogP | 25.02 |
| TPSA | 615.80 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 39 |
| Heavy Atoms | 223 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3048.54 |
| LogP ≤ 5 | 25.02 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 38 |
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'} |
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