C78H74Cl6FN15O10S3 — CID 161397232
6-chloro-4-(3-chloro-4-methylsulfonylphenyl)-1H-indazole;6-chloro-N-ethyl-1H-indazole-4-carboxamide;6-chloro-4-(3-fluoro-4-methylsulfonylphenyl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;6-chloro-4-(2-methoxy-4-methylsulfonylphenyl)-1H-indazole;4-(2-methylpropoxy)-1H-indazole (PubChem CID 161397232) has the molecular formula C78H74Cl6FN15O10S3 and a molecular weight of 1709.46 g/mol. Its IUPAC name is 6-chloro-4-(3-chloro-4-methylsulfonylphenyl)-1H-indazole;6-chloro-N-ethyl-1H-indazole-4-carboxamide;6-chloro-4-(3-fluoro-4-methylsulfonylphenyl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;6-chloro-4-(2-methoxy-4-methylsulfonylphenyl)-1H-indazole;4-(2-methylpropoxy)-1H-indazole.
| Compound Name | 6-chloro-4-(3-chloro-4-methylsulfonylphenyl)-1H-indazole;6-chloro-N-ethyl-1H-indazole-4-carboxamide;6-chloro-4-(3-fluoro-4-methylsulfonylphenyl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;6-chloro-4-(2-methoxy-4-methylsulfonylphenyl)-1H-indazole;4-(2-methylpropoxy)-1H-indazole |
|---|---|
| PubChem CID | 161397232 |
| Molecular Formula | C78H74Cl6FN15O10S3 |
| Molecular Weight | 1709.46 g/mol |
| Exact Mass | 1705.30 |
| IUPAC Name | 6-chloro-4-(3-chloro-4-methylsulfonylphenyl)-1H-indazole;6-chloro-N-ethyl-1H-indazole-4-carboxamide;6-chloro-4-(3-fluoro-4-methylsulfonylphenyl)-1H-indazole;1-(6-chloro-1H-indazol-4-yl)-N,N-dimethylpyrrolidine-3-carboxamide;6-chloro-4-(2-methoxy-4-methylsulfonylphenyl)-1H-indazole;4-(2-methylpropoxy)-1H-indazole |
| SMILES | CC(C)COc1cccc2[nH]ncc12.CCNC(=O)c1cc(Cl)cc2[nH]ncc12.CN(C)C(=O)C1CCN(c2cc(Cl)cc3[nH]ncc23)C1.COc1cc(S(C)(=O)=O)ccc1-c1cc(Cl)cc2[nH]ncc12.CS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1Cl.CS(=O)(=O)c1ccc(-c2cc(Cl)cc3[nH]ncc23)cc1F |
| InChI | InChI=1S/C15H13ClN2O3S.C14H10Cl2N2O2S.C14H10ClFN2O2S.C14H17ClN4O.C11H14N2O.C10H10ClN3O/c1-21-15-7-10(22(2,19)20)3-4-11(15)12-5-9(16)6-14-13(12)8-17-18-14;2*1-21(19,20)14-3-2-8(4-12(14)16)10-5-9(15)6-13-11(10)7-17-18-13;1-18(2)14(20)9-3-4-19(8-9)13-6-10(15)5-12-11(13)7-16-17-12;1-8(2)7-14-11-5-3-4-10-9(11)6-12-13-10;1-2-12-10(15)7-3-6(11)4-9-8(7)5-13-14-9/h3-8H,1-2H3,(H,17,18);2*2-7H,1H3,(H,17,18);5-7,9H,3-4,8H2,1-2H3,(H,16,17);3-6,8H,7H2,1-2H3,(H,12,13);3-5H,2H2,1H3,(H,12,15)(H,13,14) |
| InChIKey | VTTMANUGCXGJFL-UHFFFAOYSA-N |
| XLogP | 17.36 |
| TPSA | 345.61 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 17 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 113 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1709.46 |
| LogP ≤ 5 | 17.36 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 17 |