C103H91BrFN47O12 — CID 159198306
3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole (PubChem CID 159198306) has the molecular formula C103H91BrFN47O12 and a molecular weight of 2278.08 g/mol. Its IUPAC name is 3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole.
| Compound Name | 3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole |
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| PubChem CID | 159198306 |
| Molecular Formula | C103H91BrFN47O12 |
| Molecular Weight | 2278.08 g/mol |
| Exact Mass | 2275.71 |
| IUPAC Name | 3-bromo-5-fluoro-N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-2,4-dimethyl-N-(2H-tetrazol-5-ylmethyl)furan-3-carboxamide;N-(1-hydroxyindazol-5-yl)-3-methyl-N-(2H-tetrazol-5-ylmethyl)benzamide;N-(1-hydroxyindazol-5-yl)-3-phenyl-N-(2H-tetrazol-5-ylmethyl)propanamide;N-(1-hydroxyindazol-5-yl)-N-(2H-tetrazol-5-ylmethyl)pyridine-3-carboxamide;1-hydroxy-N-(2H-triazol-4-ylmethyl)indazol-5-amine;5-[2-(2H-triazol-4-yl)ethyl]-1H-indazole |
| SMILES | Cc1cccc(C(=O)N(Cc2nn[nH]n2)c2ccc3c(cnn3O)c2)c1.Cc1coc(C)c1C(=O)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.O=C(CCc1ccccc1)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.O=C(c1cc(F)cc(Br)c1)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.O=C(c1cccnc1)N(Cc1nn[nH]n1)c1ccc2c(cnn2O)c1.On1ncc2cc(NCc3cn[nH]n3)ccc21.c1cc2[nH]ncc2cc1CCc1cn[nH]n1 |
| InChI | InChI=1S/C18H17N7O2.C17H15N7O2.C16H11BrFN7O2.C16H15N7O3.C15H12N8O2.C11H11N5.C10H10N6O/c26-18(9-6-13-4-2-1-3-5-13)24(12-17-20-22-23-21-17)15-7-8-16-14(10-15)11-19-25(16)27;1-11-3-2-4-12(7-11)17(25)23(10-16-19-21-22-20-16)14-5-6-15-13(8-14)9-18-24(15)26;17-11-3-9(4-12(18)6-11)16(26)24(8-15-20-22-23-21-15)13-1-2-14-10(5-13)7-19-25(14)27;1-9-8-26-10(2)15(9)16(24)22(7-14-18-20-21-19-14)12-3-4-13-11(5-12)6-17-23(13)25;24-15(10-2-1-5-16-7-10)22(9-14-18-20-21-19-14)12-3-4-13-11(6-12)8-17-23(13)25;1(3-10-7-13-16-14-10)8-2-4-11-9(5-8)6-12-15-11;17-16-10-2-1-8(3-7(10)4-13-16)11-5-9-6-12-15-14-9/h1-5,7-8,10-11,27H,6,9,12H2,(H,20,21,22,23);2-9,26H,10H2,1H3,(H,19,20,21,22);1-7,27H,8H2,(H,20,21,22,23);3-6,8,25H,7H2,1-2H3,(H,18,19,20,21);1-8,25H,9H2,(H,18,19,20,21);2,4-7H,1,3H2,(H,12,15)(H,13,14,16);1-4,6,11,17H,5H2,(H,12,14,15) |
| InChIKey | KOYKKIGEWMZWKY-UHFFFAOYSA-N |
| XLogP | 11.77 |
| TPSA | 752.03 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2278.08 |
| LogP ≤ 5 | 11.77 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 46 |
| Structural Alerts | {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'} |
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