C82H79Cl6N15O6 — CID 158819024
4-(6-chloro-1H-indazol-4-yl)benzamide;1-(6-chloro-1H-indazol-4-yl)-3-cyclohexylpropan-1-one;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzamide;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzamide;1-(6-chloro-1H-indazol-4-yl)-2-methylpropan-1-ol;2-(6-chloro-1H-indazol-4-yl)propan-2-ol (PubChem CID 158819024) has the molecular formula C82H79Cl6N15O6 and a molecular weight of 1583.35 g/mol. Its IUPAC name is 4-(6-chloro-1H-indazol-4-yl)benzamide;1-(6-chloro-1H-indazol-4-yl)-3-cyclohexylpropan-1-one;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzamide;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzamide;1-(6-chloro-1H-indazol-4-yl)-2-methylpropan-1-ol;2-(6-chloro-1H-indazol-4-yl)propan-2-ol.
| Compound Name | 4-(6-chloro-1H-indazol-4-yl)benzamide;1-(6-chloro-1H-indazol-4-yl)-3-cyclohexylpropan-1-one;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzamide;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzamide;1-(6-chloro-1H-indazol-4-yl)-2-methylpropan-1-ol;2-(6-chloro-1H-indazol-4-yl)propan-2-ol |
|---|---|
| PubChem CID | 158819024 |
| Molecular Formula | C82H79Cl6N15O6 |
| Molecular Weight | 1583.35 g/mol |
| Exact Mass | 1579.45 |
| IUPAC Name | 4-(6-chloro-1H-indazol-4-yl)benzamide;1-(6-chloro-1H-indazol-4-yl)-3-cyclohexylpropan-1-one;4-(6-chloro-1H-indazol-4-yl)-N,N-dimethylbenzamide;4-(6-chloro-1H-indazol-4-yl)-N-methylbenzamide;1-(6-chloro-1H-indazol-4-yl)-2-methylpropan-1-ol;2-(6-chloro-1H-indazol-4-yl)propan-2-ol |
| SMILES | CC(C)(O)c1cc(Cl)cc2[nH]ncc12.CC(C)C(O)c1cc(Cl)cc2[nH]ncc12.CN(C)C(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.CNC(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.NC(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1.O=C(CCC1CCCCC1)c1cc(Cl)cc2[nH]ncc12 |
| InChI | InChI=1S/C16H14ClN3O.C16H19ClN2O.C15H12ClN3O.C14H10ClN3O.C11H13ClN2O.C10H11ClN2O/c1-20(2)16(21)11-5-3-10(4-6-11)13-7-12(17)8-15-14(13)9-18-19-15;17-12-8-13(14-10-18-19-15(14)9-12)16(20)7-6-11-4-2-1-3-5-11;1-17-15(20)10-4-2-9(3-5-10)12-6-11(16)7-14-13(12)8-18-19-14;15-10-5-11(12-7-17-18-13(12)6-10)8-1-3-9(4-2-8)14(16)19;1-6(2)11(15)8-3-7(12)4-10-9(8)5-13-14-10;1-10(2,14)8-3-6(11)4-9-7(8)5-12-13-9/h3-9H,1-2H3,(H,18,19);8-11H,1-7H2,(H,18,19);2-8H,1H3,(H,17,20)(H,18,19);1-7H,(H2,16,19)(H,17,18);3-6,11,15H,1-2H3,(H,13,14);3-5,14H,1-2H3,(H,12,13) |
| InChIKey | IVPZNMJBTJYWJZ-UHFFFAOYSA-N |
| XLogP | 19.92 |
| TPSA | 322.11 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 109 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1583.35 |
| LogP ≤ 5 | 19.92 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 12 |