C84H106Cl4F2N16O8 — CID 158244412
N-benzyl-4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxamide;(5-chloro-4-fluoro-1H-indazol-7-yl)-(3-fluoro-1,3-dimethylcyclobutyl)methanol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide (PubChem CID 158244412) has the molecular formula C84H106Cl4F2N16O8 and a molecular weight of 1647.68 g/mol. Its IUPAC name is N-benzyl-4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxamide;(5-chloro-4-fluoro-1H-indazol-7-yl)-(3-fluoro-1,3-dimethylcyclobutyl)methanol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide.
| Compound Name | N-benzyl-4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxamide;(5-chloro-4-fluoro-1H-indazol-7-yl)-(3-fluoro-1,3-dimethylcyclobutyl)methanol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide |
|---|---|
| PubChem CID | 158244412 |
| Molecular Formula | C84H106Cl4F2N16O8 |
| Molecular Weight | 1647.68 g/mol |
| Exact Mass | 1644.71 |
| IUPAC Name | N-benzyl-4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidine-1-carboxamide;(5-chloro-4-fluoro-1H-indazol-7-yl)-(3-fluoro-1,3-dimethylcyclobutyl)methanol;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(5-methyl-2-pyridinyl)piperidine-1-carboxamide;4-[(1S)-1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-morpholin-4-ylethyl)piperidine-1-carboxamide |
| SMILES | CC(C)(C1CCN(C(=O)NCCN2CCOCC2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)NCc2ccccc2)CC1)[C@H](O)c1cc(Cl)cc2cn[nH]c12.CC1(F)CC(C)(C(O)c2cc(Cl)c(F)c3cn[nH]c23)C1.Cc1ccc(NC(=O)N2CCC(C(C)(C)[C@H](O)c3cc(Cl)cc4cn[nH]c34)CC2)nc1 |
| InChI | InChI=1S/C24H29ClN4O2.C23H34ClN5O3.C23H28ClN5O2.C14H15ClF2N2O/c1-24(2,22(30)20-13-19(25)12-17-15-27-28-21(17)20)18-8-10-29(11-9-18)23(31)26-14-16-6-4-3-5-7-16;1-23(2,21(30)19-14-18(24)13-16-15-26-27-20(16)19)17-3-6-29(7-4-17)22(31)25-5-8-28-9-11-32-12-10-28;1-14-4-5-19(25-12-14)27-22(31)29-8-6-16(7-9-29)23(2,3)21(30)18-11-17(24)10-15-13-26-28-20(15)18;1-13(5-14(2,17)6-13)12(20)7-3-9(15)10(16)8-4-18-19-11(7)8/h3-7,12-13,15,18,22,30H,8-11,14H2,1-2H3,(H,26,31)(H,27,28);13-15,17,21,30H,3-12H2,1-2H3,(H,25,31)(H,26,27);4-5,10-13,16,21,30H,6-9H2,1-3H3,(H,26,28)(H,25,27,31);3-4,12,20H,5-6H2,1-2H3,(H,18,19)/t22-;2*21-;/m111./s1 |
| InChIKey | GFYFFDZZDOJBMY-PHCGMPIXSA-N |
| XLogP | 16.77 |
| TPSA | 318.02 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 114 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1647.68 |
| LogP ≤ 5 | 16.77 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 14 |