C82H100Cl6F4N10O6 — CID 159804418
1-(5-chloro-4-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-4-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(1-cyclohexylcyclopropyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclohexyl]ethanone;2-cyclohexyl-1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol (PubChem CID 159804418) has the molecular formula C82H100Cl6F4N10O6 and a molecular weight of 1610.48 g/mol. Its IUPAC name is 1-(5-chloro-4-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-4-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(1-cyclohexylcyclopropyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclohexyl]ethanone;2-cyclohexyl-1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol.
| Compound Name | 1-(5-chloro-4-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-4-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(1-cyclohexylcyclopropyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclohexyl]ethanone;2-cyclohexyl-1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol |
|---|---|
| PubChem CID | 159804418 |
| Molecular Formula | C82H100Cl6F4N10O6 |
| Molecular Weight | 1610.48 g/mol |
| Exact Mass | 1606.59 |
| IUPAC Name | 1-(5-chloro-4-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2,2-difluoroethanol;1-(5-chloro-4-fluoro-1H-indazol-7-yl)-2-cyclohexyl-2-methylpropan-1-ol;(5-chloro-1H-indazol-7-yl)-(1-cyclohexylcyclopropyl)methanol;1-[4-[(5-chloro-1H-indazol-7-yl)-hydroxymethyl]cyclohexyl]ethanone;2-cyclohexyl-1-(5,6-dichloro-1H-indazol-7-yl)-2-methylpropan-1-ol |
| SMILES | CC(=O)C1CCC(C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CC(C)(C1CCCCC1)C(O)c1c(Cl)c(Cl)cc2cn[nH]c12.CC(C)(C1CCCCC1)C(O)c1cc(Cl)c(F)c2cn[nH]c12.OC(c1cc(Cl)c(F)c2cn[nH]c12)C(F)(F)C1CCCCC1.OC(c1cc(Cl)cc2cn[nH]c12)C1(C2CCCCC2)CC1 |
| InChI | InChI=1S/C17H22Cl2N2O.C17H22ClFN2O.C17H21ClN2O.C16H19ClN2O2.C15H16ClF3N2O/c1-17(2,11-6-4-3-5-7-11)16(22)13-14(19)12(18)8-10-9-20-21-15(10)13;1-17(2,10-6-4-3-5-7-10)16(22)11-8-13(18)14(19)12-9-20-21-15(11)12;18-13-8-11-10-19-20-15(11)14(9-13)16(21)17(6-7-17)12-4-2-1-3-5-12;1-9(20)10-2-4-11(5-3-10)16(21)14-7-13(17)6-12-8-18-19-15(12)14;16-11-6-9(13-10(12(11)17)7-20-21-13)14(22)15(18,19)8-4-2-1-3-5-8/h8-9,11,16,22H,3-7H2,1-2H3,(H,20,21);8-10,16,22H,3-7H2,1-2H3,(H,20,21);8-10,12,16,21H,1-7H2,(H,19,20);6-8,10-11,16,21H,2-5H2,1H3,(H,18,19);6-8,14,22H,1-5H2,(H,20,21) |
| InChIKey | NKEZHSUADUAVNP-UHFFFAOYSA-N |
| XLogP | 23.36 |
| TPSA | 261.62 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 15 |
| Heavy Atoms | 108 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1610.48 |
| LogP ≤ 5 | 23.36 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 11 |