C119H139Cl5FN21O12 — CID 158260699
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide (PubChem CID 158260699) has the molecular formula C119H139Cl5FN21O12 and a molecular weight of 2251.82 g/mol. Its IUPAC name is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide.
| Compound Name | 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide |
|---|---|
| PubChem CID | 158260699 |
| Molecular Formula | C119H139Cl5FN21O12 |
| Molecular Weight | 2251.82 g/mol |
| Exact Mass | 2247.93 |
| IUPAC Name | 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-fluorophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(2-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methoxyphenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-methylphenyl)piperidine-1-carboxamide |
| SMILES | CC(C)(C1CCN(C(=O)Nc2ccccc2C#N)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)Nc2ccccc2F)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.COc1cccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1.COc1ccccc1NC(=O)N1CCC(C(C)(C)C(O)c2cc(Cl)cc3cn[nH]c23)CC1.Cc1cccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)c1 |
| InChI | InChI=1S/C24H26ClN5O2.2C24H29ClN4O3.C24H29ClN4O2.C23H26ClFN4O2/c1-24(2,22(31)19-12-18(25)11-16-14-27-29-21(16)19)17-7-9-30(10-8-17)23(32)28-20-6-4-3-5-15(20)13-26;1-24(2,22(30)20-12-17(25)11-15-14-26-28-21(15)20)16-7-9-29(10-8-16)23(31)27-18-5-4-6-19(13-18)32-3;1-24(2,22(30)18-13-17(25)12-15-14-26-28-21(15)18)16-8-10-29(11-9-16)23(31)27-19-6-4-5-7-20(19)32-3;1-15-5-4-6-19(11-15)27-23(31)29-9-7-17(8-10-29)24(2,3)22(30)20-13-18(25)12-16-14-26-28-21(16)20;1-23(2,21(30)17-12-16(24)11-14-13-26-28-20(14)17)15-7-9-29(10-8-15)22(31)27-19-6-4-3-5-18(19)25/h3-6,11-12,14,17,22,31H,7-10H2,1-2H3,(H,27,29)(H,28,32);4-6,11-14,16,22,30H,7-10H2,1-3H3,(H,26,28)(H,27,31);4-7,12-14,16,22,30H,8-11H2,1-3H3,(H,26,28)(H,27,31);4-6,11-14,17,22,30H,7-10H2,1-3H3,(H,26,28)(H,27,31);3-6,11-13,15,21,30H,7-10H2,1-2H3,(H,26,28)(H,27,31) |
| InChIKey | GHVLQEDCDNBGIA-UHFFFAOYSA-N |
| XLogP | 26.44 |
| TPSA | 448.50 Ų |
| H-Bond Donors | 15 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 22 |
| Heavy Atoms | 158 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2251.82 |
| LogP ≤ 5 | 26.44 |
| H-Bond Donors ≤ 5 | 15 |
| H-Bond Acceptors ≤ 10 | 18 |