C80H107Cl4F4N13O8 — CID 159891514
4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-cyclohexylpiperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one (PubChem CID 159891514) has the molecular formula C80H107Cl4F4N13O8 and a molecular weight of 1596.62 g/mol. Its IUPAC name is 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-cyclohexylpiperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one.
| Compound Name | 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-cyclohexylpiperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one |
|---|---|
| PubChem CID | 159891514 |
| Molecular Formula | C80H107Cl4F4N13O8 |
| Molecular Weight | 1596.62 g/mol |
| Exact Mass | 1593.71 |
| IUPAC Name | 4-[2-(5-chloro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]-N-cyclohexylpiperidine-1-carboxamide;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]butan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-3,3-difluorobutan-1-one;1-[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]propan-1-one |
| SMILES | CC(F)(F)CC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CCC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CCCC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.O=C(NC1CCCCC1)N1CCC(C(F)(F)C(O)c2cc(Cl)cc3cn[nH]c23)CC1 |
| InChI | InChI=1S/C21H27ClF2N4O2.C20H26ClF2N3O2.C20H28ClN3O2.C19H26ClN3O2/c22-15-10-13-12-25-27-18(13)17(11-15)19(29)21(23,24)14-6-8-28(9-7-14)20(30)26-16-4-2-1-3-5-16;1-19(2,13-4-6-26(7-5-13)16(27)10-20(3,22)23)18(28)15-9-14(21)8-12-11-24-25-17(12)15;1-4-5-17(25)24-8-6-14(7-9-24)20(2,3)19(26)16-11-15(21)10-13-12-22-23-18(13)16;1-4-16(24)23-7-5-13(6-8-23)19(2,3)18(25)15-10-14(20)9-12-11-21-22-17(12)15/h10-12,14,16,19,29H,1-9H2,(H,25,27)(H,26,30);8-9,11,13,18,28H,4-7,10H2,1-3H3,(H,24,25);10-12,14,19,26H,4-9H2,1-3H3,(H,22,23);9-11,13,18,25H,4-8H2,1-3H3,(H,21,22) |
| InChIKey | NUUTUJRECVRXFE-UHFFFAOYSA-N |
| XLogP | 17.44 |
| TPSA | 288.91 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 109 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1596.62 |
| LogP ≤ 5 | 17.44 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 12 |