C117H133Cl5F3N21O10 — CID 162170497
4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)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]piperidin-1-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]methanone;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 162170497) has the molecular formula C117H133Cl5F3N21O10 and a molecular weight of 2227.75 g/mol. Its IUPAC name is 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)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]piperidin-1-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]methanone;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone.
| Compound Name | 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)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]piperidin-1-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]methanone;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone |
|---|---|
| PubChem CID | 162170497 |
| Molecular Formula | C117H133Cl5F3N21O10 |
| Molecular Weight | 2227.75 g/mol |
| Exact Mass | 2223.89 |
| IUPAC Name | 4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-cyanophenyl)piperidine-1-carboxamide;4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]-N-(3-fluorophenyl)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]piperidin-1-yl]-[6-(1,1-difluoroethyl)-3-pyridinyl]methanone;[4-[1-(5-chloro-1H-indazol-7-yl)-1-hydroxy-2-methylpropan-2-yl]piperidin-1-yl]-pyridin-3-ylmethanone |
| SMILES | CC(C)(C1CCN(C(=O)Nc2cccc(C#N)c2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)Nc2cccc(F)c2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(C)(C1CCN(C(=O)c2cccnc2)CC1)C(O)c1cc(Cl)cc2cn[nH]c12.CC(F)(F)c1ccc(C(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cn1.Cc1ccc(NC(=O)N2CCC(C(C)(C)C(O)c3cc(Cl)cc4cn[nH]c34)CC2)cc1 |
| InChI | InChI=1S/C24H27ClF2N4O2.C24H26ClN5O2.C24H29ClN4O2.C23H26ClFN4O2.C22H25ClN4O2/c1-23(2,21(32)18-11-17(25)10-15-13-29-30-20(15)18)16-6-8-31(9-7-16)22(33)14-4-5-19(28-12-14)24(3,26)27;1-24(2,22(31)20-12-18(25)11-16-14-27-29-21(16)20)17-6-8-30(9-7-17)23(32)28-19-5-3-4-15(10-19)13-26;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;1-23(2,21(30)19-11-16(24)10-14-13-26-28-20(14)19)15-6-8-29(9-7-15)22(31)27-18-5-3-4-17(25)12-18;1-22(2,20(28)18-11-17(23)10-15-13-25-26-19(15)18)16-5-8-27(9-6-16)21(29)14-4-3-7-24-12-14/h4-5,10-13,16,21,32H,6-9H2,1-3H3,(H,29,30);3-5,10-12,14,17,22,31H,6-9H2,1-2H3,(H,27,29)(H,28,32);4-7,12-14,17,22,30H,8-11H2,1-3H3,(H,26,28)(H,27,31);3-5,10-13,15,21,30H,6-9H2,1-2H3,(H,26,28)(H,27,31);3-4,7,10-13,16,20,28H,5-6,8-9H2,1-2H3,(H,25,26) |
| InChIKey | ZNSKIYXAAIFDBJ-UHFFFAOYSA-N |
| XLogP | 25.54 |
| TPSA | 431.76 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 18 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 156 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2227.75 |
| LogP ≤ 5 | 25.54 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 18 |