C75H93Cl4F2N13O10S2 — CID 157218928
1-(5-chloro-1H-indazol-7-yl)-2,2-difluoro-2-(1-methylsulfonylpiperidin-4-yl)ethanol;1-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonan-7-yl]ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]propan-1-ol (PubChem CID 157218928) has the molecular formula C75H93Cl4F2N13O10S2 and a molecular weight of 1580.59 g/mol. Its IUPAC name is 1-(5-chloro-1H-indazol-7-yl)-2,2-difluoro-2-(1-methylsulfonylpiperidin-4-yl)ethanol;1-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonan-7-yl]ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]propan-1-ol.
| Compound Name | 1-(5-chloro-1H-indazol-7-yl)-2,2-difluoro-2-(1-methylsulfonylpiperidin-4-yl)ethanol;1-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonan-7-yl]ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]propan-1-ol |
|---|---|
| PubChem CID | 157218928 |
| Molecular Formula | C75H93Cl4F2N13O10S2 |
| Molecular Weight | 1580.59 g/mol |
| Exact Mass | 1577.53 |
| IUPAC Name | 1-(5-chloro-1H-indazol-7-yl)-2,2-difluoro-2-(1-methylsulfonylpiperidin-4-yl)ethanol;1-[2-(5-chloro-1H-indazol-7-yl)-2-hydroxy-7-azaspiro[3.5]nonan-7-yl]ethanone;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;1-(5-chloro-1H-indazol-7-yl)-2-methyl-2-[(1R,5S)-8-methylsulfonyl-8-azabicyclo[3.2.1]octan-3-yl]propan-1-ol |
| SMILES | CC(=O)N1CCC2(CC1)CC(O)(c1cc(Cl)cc3cn[nH]c13)C2.CC(C)(C1C[C@H]2CC[C@@H](C1)N2S(C)(=O)=O)C(O)c1cc(Cl)cc2cn[nH]c12.CS(=O)(=O)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.Cc1ccc(NC(=O)N2CCC(C(C)(C)[C@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1 |
| InChI | InChI=1S/C24H29ClN4O2.C19H26ClN3O3S.C17H20ClN3O2.C15H18ClF2N3O3S/c1-15-4-6-19(7-5-15)27-23(31)29-10-8-17(9-11-29)24(2,3)22(30)20-13-18(25)12-16-14-26-28-21(16)20;1-19(2,12-7-14-4-5-15(8-12)23(14)27(3,25)26)18(24)16-9-13(20)6-11-10-21-22-17(11)16;1-11(22)21-4-2-16(3-5-21)9-17(23,10-16)14-7-13(18)6-12-8-19-20-15(12)14;1-25(23,24)21-4-2-10(3-5-21)15(17,18)14(22)12-7-11(16)6-9-8-19-20-13(9)12/h4-7,12-14,17,22,30H,8-11H2,1-3H3,(H,26,28)(H,27,31);6,9-10,12,14-15,18,24H,4-5,7-8H2,1-3H3,(H,21,22);6-8,23H,2-5,9-10H2,1H3,(H,19,20);6-8,10,14,22H,2-5H2,1H3,(H,19,20)/t22-;12?,14-,15+,18?;;/m1.../s1 |
| InChIKey | ASTFFWJVKWRDCX-MXIXEUMWSA-N |
| XLogP | 14.39 |
| TPSA | 323.05 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 106 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1580.59 |
| LogP ≤ 5 | 14.39 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 14 |