C123H146Cl7F3N20O11 — CID 158256492
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-ethyl-5-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 158256492) has the molecular formula C123H146Cl7F3N20O11 and a molecular weight of 2385.81 g/mol. Its IUPAC name is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-ethyl-5-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
| Compound Name | 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-ethyl-5-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide |
|---|---|
| PubChem CID | 158256492 |
| Molecular Formula | C123H146Cl7F3N20O11 |
| Molecular Weight | 2385.81 g/mol |
| Exact Mass | 2380.93 |
| IUPAC Name | 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-chloro-4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-chloro-5-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-ethyl-5-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(4-methylphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-1-carboxamide |
| SMILES | CCc1cc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc(OC)c1.Cc1cc(Cl)cc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.Cc1ccc(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)cc1C(F)(F)F.Cc1ccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1Cl |
| InChI | InChI=1S/C26H33ClN4O3.C25H28ClF3N4O2.2C24H28Cl2N4O2.C24H29ClN4O2/c1-5-16-10-20(14-21(11-16)34-4)29-25(33)31-8-6-18(7-9-31)26(2,3)24(32)22-13-19(27)12-17-15-28-30-23(17)22;1-14-4-5-18(12-20(14)25(27,28)29)31-23(35)33-8-6-16(7-9-33)24(2,3)22(34)19-11-17(26)10-15-13-30-32-21(15)19;1-14-8-17(25)11-19(9-14)28-23(32)30-6-4-16(5-7-30)24(2,3)22(31)20-12-18(26)10-15-13-27-29-21(15)20;1-14-4-5-18(12-20(14)26)28-23(32)30-8-6-16(7-9-30)24(2,3)22(31)19-11-17(25)10-15-13-27-29-21(15)19;1-15-4-6-19(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/h10-15,18,24,32H,5-9H2,1-4H3,(H,28,30)(H,29,33);4-5,10-13,16,22,34H,6-9H2,1-3H3,(H,30,32)(H,31,35);8-13,16,22,31H,4-7H2,1-3H3,(H,27,29)(H,28,32);4-5,10-13,16,22,31H,6-9H2,1-3H3,(H,27,29)(H,28,32);4-7,12-14,17,22,30H,8-11H2,1-3H3,(H,26,28)(H,27,31) |
| InChIKey | GHIPYUYNIPRXIP-UHFFFAOYSA-N |
| XLogP | 30.23 |
| TPSA | 415.48 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 164 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2385.81 |
| LogP ≤ 5 | 30.23 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 16 |