C79H100Cl6N18O9S2 — CID 159467793
1-(6-chloro-1H-indazol-4-yl)-2-(oxan-4-yl)ethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-chloro-4-(1-methoxyethyl)-1H-indazole;6-chloro-4-(2-methoxyethyl)-1H-indazole (PubChem CID 159467793) has the molecular formula C79H100Cl6N18O9S2 and a molecular weight of 1722.64 g/mol. Its IUPAC name is 1-(6-chloro-1H-indazol-4-yl)-2-(oxan-4-yl)ethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-chloro-4-(1-methoxyethyl)-1H-indazole;6-chloro-4-(2-methoxyethyl)-1H-indazole.
| Compound Name | 1-(6-chloro-1H-indazol-4-yl)-2-(oxan-4-yl)ethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-chloro-4-(1-methoxyethyl)-1H-indazole;6-chloro-4-(2-methoxyethyl)-1H-indazole |
|---|---|
| PubChem CID | 159467793 |
| Molecular Formula | C79H100Cl6N18O9S2 |
| Molecular Weight | 1722.64 g/mol |
| Exact Mass | 1718.55 |
| IUPAC Name | 1-(6-chloro-1H-indazol-4-yl)-2-(oxan-4-yl)ethanol;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]methanesulfonamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylacetamide;N-[[1-(6-chloro-1H-indazol-4-yl)piperidin-3-yl]methyl]-N-methylmethanesulfonamide;6-chloro-4-(1-methoxyethyl)-1H-indazole;6-chloro-4-(2-methoxyethyl)-1H-indazole |
| SMILES | CC(=O)N(C)CC1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.CN(CC1CCCN(c2cc(Cl)cc3[nH]ncc23)C1)S(C)(=O)=O.COC(C)c1cc(Cl)cc2[nH]ncc12.COCCc1cc(Cl)cc2[nH]ncc12.CS(=O)(=O)NCC1CCCN(c2cc(Cl)cc3[nH]ncc23)C1.OC(CC1CCOCC1)c1cc(Cl)cc2[nH]ncc12 |
| InChI | InChI=1S/C16H21ClN4O.C15H21ClN4O2S.C14H19ClN4O2S.C14H17ClN2O2.2C10H11ClN2O/c1-11(22)20(2)9-12-4-3-5-21(10-12)16-7-13(17)6-15-14(16)8-18-19-15;1-19(23(2,21)22)9-11-4-3-5-20(10-11)15-7-12(16)6-14-13(15)8-17-18-14;1-22(20,21)17-7-10-3-2-4-19(9-10)14-6-11(15)5-13-12(14)8-16-18-13;15-10-6-11(12-8-16-17-13(12)7-10)14(18)5-9-1-3-19-4-2-9;1-6(14-2)8-3-7(11)4-10-9(8)5-12-13-10;1-14-3-2-7-4-8(11)5-10-9(7)6-12-13-10/h6-8,12H,3-5,9-10H2,1-2H3,(H,18,19);6-8,11H,3-5,9-10H2,1-2H3,(H,17,18);5-6,8,10,17H,2-4,7,9H2,1H3,(H,16,18);6-9,14,18H,1-5H2,(H,16,17);3-6H,1-2H3,(H,12,13);4-6H,2-3H2,1H3,(H,12,13) |
| InChIKey | LVKIFBRIULBWNU-UHFFFAOYSA-N |
| XLogP | 15.61 |
| TPSA | 333.58 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 114 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1722.64 |
| LogP ≤ 5 | 15.61 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 18 |