C68H68Cl5N17O5S — CID 159417905
N-benzyl-6-chloro-1H-indazole-4-carboxamide;6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylmethanesulfonamide;6-chloro-N-(2-methylpropyl)-1H-indazole-4-carboxamide;6-chloro-N-propan-2-yl-1H-indazole-4-carboxamide (PubChem CID 159417905) has the molecular formula C68H68Cl5N17O5S and a molecular weight of 1412.74 g/mol. Its IUPAC name is N-benzyl-6-chloro-1H-indazole-4-carboxamide;6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylmethanesulfonamide;6-chloro-N-(2-methylpropyl)-1H-indazole-4-carboxamide;6-chloro-N-propan-2-yl-1H-indazole-4-carboxamide.
| Compound Name | N-benzyl-6-chloro-1H-indazole-4-carboxamide;6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylmethanesulfonamide;6-chloro-N-(2-methylpropyl)-1H-indazole-4-carboxamide;6-chloro-N-propan-2-yl-1H-indazole-4-carboxamide |
|---|---|
| PubChem CID | 159417905 |
| Molecular Formula | C68H68Cl5N17O5S |
| Molecular Weight | 1412.74 g/mol |
| Exact Mass | 1409.38 |
| IUPAC Name | N-benzyl-6-chloro-1H-indazole-4-carboxamide;6-chloro-4-[4-(1H-imidazol-2-yl)piperidin-1-yl]-1H-indazole;N-[4-(6-chloro-1H-indazol-4-yl)phenyl]-N-methylmethanesulfonamide;6-chloro-N-(2-methylpropyl)-1H-indazole-4-carboxamide;6-chloro-N-propan-2-yl-1H-indazole-4-carboxamide |
| SMILES | CC(C)CNC(=O)c1cc(Cl)cc2[nH]ncc12.CC(C)NC(=O)c1cc(Cl)cc2[nH]ncc12.CN(c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1)S(C)(=O)=O.Clc1cc(N2CCC(c3ncc[nH]3)CC2)c2cn[nH]c2c1.O=C(NCc1ccccc1)c1cc(Cl)cc2[nH]ncc12 |
| InChI | InChI=1S/C15H16ClN5.C15H14ClN3O2S.C15H12ClN3O.C12H14ClN3O.C11H12ClN3O/c16-11-7-13-12(9-19-20-13)14(8-11)21-5-1-10(2-6-21)15-17-3-4-18-15;1-19(22(2,20)21)12-5-3-10(4-6-12)13-7-11(16)8-15-14(13)9-17-18-15;16-11-6-12(13-9-18-19-14(13)7-11)15(20)17-8-10-4-2-1-3-5-10;1-7(2)5-14-12(17)9-3-8(13)4-11-10(9)6-15-16-11;1-6(2)14-11(16)8-3-7(12)4-10-9(8)5-13-15-10/h3-4,7-10H,1-2,5-6H2,(H,17,18)(H,19,20);3-9H,1-2H3,(H,17,18);1-7,9H,8H2,(H,17,20)(H,18,19);3-4,6-7H,5H2,1-2H3,(H,14,17)(H,15,16);3-6H,1-2H3,(H,13,15)(H,14,16) |
| InChIKey | LPJYCHGUTCTHKO-UHFFFAOYSA-N |
| XLogP | 14.71 |
| TPSA | 300.00 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 96 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1412.74 |
| LogP ≤ 5 | 14.71 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 12 |