C137H150F5N33O8S — CID 167682277
5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide);6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide (PubChem CID 167682277) has the molecular formula C137H150F5N33O8S and a molecular weight of 2513.99 g/mol. Its IUPAC name is 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide);6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide.
| Compound Name | 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide);6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide |
|---|---|
| PubChem CID | 167682277 |
| Molecular Formula | C137H150F5N33O8S |
| Molecular Weight | 2513.99 g/mol |
| Exact Mass | 2512.20 |
| IUPAC Name | 5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide);6-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]pyridine-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide |
| SMILES | CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)o1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1cccc(C(=O)Nc2ccc(N3CCN(S(N)(=O)=O)CC3)cc2)n1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCNCC3)cc2)[nH]1.CC1CN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4C(C)C)[nH]3)cc2)CC(C)N1C |
| InChI | InChI=1S/C29H34FN7O.C28H30FN7O3S.C28H30FN5O2.2C26H28FN7O/c1-18(2)37-17-32-26(21-6-8-22(30)9-7-21)27(37)28-31-14-25(34-28)29(38)33-23-10-12-24(13-11-23)36-15-19(3)35(5)20(4)16-36;1-19(2)36-18-31-26(20-6-8-21(29)9-7-20)27(36)24-4-3-5-25(33-24)28(37)32-22-10-12-23(13-11-22)34-14-16-35(17-15-34)40(30,38)39;1-19(2)34-18-30-26(20-4-6-21(29)7-5-20)27(34)24-12-13-25(36-24)28(35)31-22-8-10-23(11-9-22)33-16-14-32(3)15-17-33;2*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/h6-14,17-20H,15-16H2,1-5H3,(H,31,34)(H,33,38);3-13,18-19H,14-17H2,1-2H3,(H,32,37)(H2,30,38,39);4-13,18-19H,14-17H2,1-3H3,(H,31,35);2*3-10,15-17,28H,11-14H2,1-2H3,(H,29,32)(H,31,35) |
| InChIKey | VSDSOPCXPPTGKJ-UHFFFAOYSA-N |
| XLogP | 23.53 |
| TPSA | 456.81 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 184 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2513.99 |
| LogP ≤ 5 | 23.53 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 31 |
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'} |
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