C117H142Cl5F6N21O10 — CID 160964186
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[3-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 160964186) has the molecular formula C117H142Cl5F6N21O10 and a molecular weight of 2293.81 g/mol. Its IUPAC name is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[3-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
| Compound Name | 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[3-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide |
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| PubChem CID | 160964186 |
| Molecular Formula | C117H142Cl5F6N21O10 |
| Molecular Weight | 2293.81 g/mol |
| Exact Mass | 2289.96 |
| IUPAC Name | 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[3-(1,1-difluoroethyl)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-(dimethylamino)phenyl]piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-ethylpiperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluoro-4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide |
| SMILES | CC(C)(C1CCN(C(=O)Nc2ccccc2C(F)(F)F)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(F)(F)c1cccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.CCNC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.CN(C)c1ccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1.Cc1ccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c(F)c1 |
| InChI | InChI=1S/C25H29ClF2N4O2.C25H32ClN5O2.C24H26ClF3N4O2.C24H28ClFN4O2.C19H27ClN4O2/c1-24(2,22(33)20-13-18(26)11-15-14-29-31-21(15)20)16-7-9-32(10-8-16)23(34)30-19-6-4-5-17(12-19)25(3,27)28;1-25(2,23(32)21-14-18(26)13-16-15-27-29-22(16)21)17-9-11-31(12-10-17)24(33)28-19-5-7-20(8-6-19)30(3)4;1-23(2,21(33)17-12-16(25)11-14-13-29-31-20(14)17)15-7-9-32(10-8-15)22(34)30-19-6-4-3-5-18(19)24(26,27)28;1-14-4-5-20(19(26)10-14)28-23(32)30-8-6-16(7-9-30)24(2,3)22(31)18-12-17(25)11-15-13-27-29-21(15)18;1-4-21-18(26)24-7-5-13(6-8-24)19(2,3)17(25)15-10-14(20)9-12-11-22-23-16(12)15/h4-6,11-14,16,22,33H,7-10H2,1-3H3,(H,29,31)(H,30,34);5-8,13-15,17,23,32H,9-12H2,1-4H3,(H,27,29)(H,28,33);3-6,11-13,15,21,33H,7-10H2,1-2H3,(H,29,31)(H,30,34);4-5,10-13,16,22,31H,6-9H2,1-3H3,(H,27,29)(H,28,32);9-11,13,17,25H,4-8H2,1-3H3,(H,21,26)(H,22,23) |
| InChIKey | SXJYQUNLGAITTD-UHFFFAOYSA-N |
| XLogP | 27.24 |
| TPSA | 409.49 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2293.81 |
| LogP ≤ 5 | 27.24 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'} |
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