C74H67BrF4N24O7 — CID 164984184
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;1-(1-bromoethyl)-4-fluorobenzene;1-[1-(4-fluorophenyl)ethyl]-4-nitropyrazole;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine;4-nitro-1H-pyrazole (PubChem CID 164984184) has the molecular formula C74H67BrF4N24O7 and a molecular weight of 1560.41 g/mol. Its IUPAC name is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;1-(1-bromoethyl)-4-fluorobenzene;1-[1-(4-fluorophenyl)ethyl]-4-nitropyrazole;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine;4-nitro-1H-pyrazole.
| Compound Name | 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;1-(1-bromoethyl)-4-fluorobenzene;1-[1-(4-fluorophenyl)ethyl]-4-nitropyrazole;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine;4-nitro-1H-pyrazole |
|---|---|
| PubChem CID | 164984184 |
| Molecular Formula | C74H67BrF4N24O7 |
| Molecular Weight | 1560.41 g/mol |
| Exact Mass | 1558.47 |
| IUPAC Name | 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[1-(4-fluorophenyl)ethyl]pyrazol-4-yl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;1-(1-bromoethyl)-4-fluorobenzene;1-[1-(4-fluorophenyl)ethyl]-4-nitropyrazole;1-[1-(4-fluorophenyl)ethyl]pyrazol-4-amine;4-nitro-1H-pyrazole |
| SMILES | CC(Br)c1ccc(F)cc1.CC(c1ccc(F)cc1)n1cc(N)cn1.CC(c1ccc(F)cc1)n1cc(NC(=O)c2cc(-c3ccn4nc(N)nc4c3)c3cnn(C)c3c2)cn1.CC(c1ccc(F)cc1)n1cc([N+](=O)[O-])cn1.Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)O)cc21.O=[N+]([O-])c1cn[nH]c1 |
| InChI | InChI=1S/C26H22FN9O.C15H12N6O2.C11H10FN3O2.C11H12FN3.C8H8BrF.C3H3N3O2/c1-15(16-3-5-19(27)6-4-16)36-14-20(12-30-36)31-25(37)18-9-21(22-13-29-34(2)23(22)10-18)17-7-8-35-24(11-17)32-26(28)33-35;1-20-12-5-9(14(22)23)4-10(11(12)7-17-20)8-2-3-21-13(6-8)18-15(16)19-21;1-8(9-2-4-10(12)5-3-9)14-7-11(6-13-14)15(16)17;1-8(15-7-11(13)6-14-15)9-2-4-10(12)5-3-9;1-6(9)7-2-4-8(10)5-3-7;7-6(8)3-1-4-5-2-3/h3-15H,1-2H3,(H2,28,33)(H,31,37);2-7H,1H3,(H2,16,19)(H,22,23);2-8H,1H3;2-8H,13H2,1H3;2-6H,1H3;1-2H,(H,4,5) |
| InChIKey | FXLYALKXZCOHKH-UHFFFAOYSA-N |
| XLogP | 13.98 |
| TPSA | 408.90 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 110 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1560.41 |
| LogP ≤ 5 | 13.98 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
|---|