C130H98Br2Cl2F9N23O12 — CID 159610816
N-(1-aminoindazol-3-yl)furan-3-carboxamide;1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide (PubChem CID 159610816) has the molecular formula C130H98Br2Cl2F9N23O12 and a molecular weight of 2576.06 g/mol. Its IUPAC name is N-(1-aminoindazol-3-yl)furan-3-carboxamide;1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide.
| Compound Name | N-(1-aminoindazol-3-yl)furan-3-carboxamide;1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide |
|---|---|
| PubChem CID | 159610816 |
| Molecular Formula | C130H98Br2Cl2F9N23O12 |
| Molecular Weight | 2576.06 g/mol |
| Exact Mass | 2571.54 |
| IUPAC Name | N-(1-aminoindazol-3-yl)furan-3-carboxamide;1-benzyl-5-bromo-3-nitroindole;N-(1-benzylindazol-3-yl)furan-3-carboxamide;5-bromo-3-nitro-1-[[4-(trifluoromethyl)phenyl]methyl]indole;1-[(4-chlorophenyl)methyl]indazol-3-amine;N-[1-[(4-chlorophenyl)methyl]indazol-3-yl]furan-3-carboxamide;1-[[4-(trifluoromethyl)phenyl]methyl]indazol-3-amine;N-[1-[[2-(trifluoromethyl)phenyl]methyl]indazol-3-yl]furan-3-carboxamide |
| SMILES | Nc1nn(Cc2ccc(C(F)(F)F)cc2)c2ccccc12.Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12.Nn1nc(NC(=O)c2ccoc2)c2ccccc21.O=C(Nc1nn(Cc2ccc(Cl)cc2)c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccccc2)c2ccccc12)c1ccoc1.O=C(Nc1nn(Cc2ccccc2C(F)(F)F)c2ccccc12)c1ccoc1.O=[N+]([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12.O=[N+]([O-])c1cn(Cc2ccccc2)c2ccc(Br)cc12 |
| InChI | InChI=1S/C20H14F3N3O2.C19H14ClN3O2.C19H15N3O2.C16H10BrF3N2O2.C15H11BrN2O2.C15H12F3N3.C14H12ClN3.C12H10N4O2/c21-20(22,23)16-7-3-1-5-13(16)11-26-17-8-4-2-6-15(17)18(25-26)24-19(27)14-9-10-28-12-14;20-15-7-5-13(6-8-15)11-23-17-4-2-1-3-16(17)18(22-23)21-19(24)14-9-10-25-12-14;23-19(15-10-11-24-13-15)20-18-16-8-4-5-9-17(16)22(21-18)12-14-6-2-1-3-7-14;17-12-5-6-14-13(7-12)15(22(23)24)9-21(14)8-10-1-3-11(4-2-10)16(18,19)20;16-12-6-7-14-13(8-12)15(18(19)20)10-17(14)9-11-4-2-1-3-5-11;16-15(17,18)11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)14(19)20-21;15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)14(16)17-18;13-16-10-4-2-1-3-9(10)11(15-16)14-12(17)8-5-6-18-7-8/h1-10,12H,11H2,(H,24,25,27);1-10,12H,11H2,(H,21,22,24);1-11,13H,12H2,(H,20,21,23);1-7,9H,8H2;1-8,10H,9H2;1-8H,9H2,(H2,19,20);1-8H,9H2,(H2,16,17);1-7H,13H2,(H,14,15,17) |
| InChIKey | MMRALEYQQQKMAS-UHFFFAOYSA-N |
| XLogP | 31.80 |
| TPSA | 450.08 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 178 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2576.06 |
| LogP ≤ 5 | 31.80 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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