C85H120Cl4N14O8 — CID 158304663
[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclohexylmethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone (PubChem CID 158304663) has the molecular formula C85H120Cl4N14O8 and a molecular weight of 1607.80 g/mol. Its IUPAC name is [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclohexylmethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone.
| Compound Name | [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclohexylmethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone |
|---|---|
| PubChem CID | 158304663 |
| Molecular Formula | C85H120Cl4N14O8 |
| Molecular Weight | 1607.80 g/mol |
| Exact Mass | 1604.82 |
| IUPAC Name | [4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-cyclohexylmethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-2-(dimethylamino)ethanone;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3-(dimethylamino)propan-1-one;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-(1-methylcyclopropyl)methanone |
| SMILES | CC(C)(C1CCN(C(=O)C2CCCCC2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC1(C(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)CC1.CN(C)CC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CN(C)CCC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1 |
| InChI | InChI=1S/C23H32ClN3O2.C21H31ClN4O2.C21H28ClN3O2.C20H29ClN4O2/c1-23(2,21(28)19-13-18(24)12-16-14-25-26-20(16)19)17-8-10-27(11-9-17)22(29)15-6-4-3-5-7-15;1-21(2,15-5-9-26(10-6-15)18(27)7-8-25(3)4)20(28)17-12-16(22)11-14-13-23-24-19(14)17;1-20(2,14-4-8-25(9-5-14)19(27)21(3)6-7-21)18(26)16-11-15(22)10-13-12-23-24-17(13)16;1-20(2,14-5-7-25(8-6-14)17(26)12-24(3)4)19(27)16-10-15(21)9-13-11-22-23-18(13)16/h12-15,17,21,28H,3-11H2,1-2H3,(H,25,26);11-13,15,20,28H,5-10H2,1-4H3,(H,23,24);10-12,14,18,26H,4-9H2,1-3H3,(H,23,24);9-11,14,19,27H,5-8,12H2,1-4H3,(H,22,23) |
| InChIKey | GMXVJJPLLSXSEP-UHFFFAOYSA-N |
| XLogP | 15.95 |
| TPSA | 283.36 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 111 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1607.80 |
| LogP ≤ 5 | 15.95 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 14 |