C124H114ClF20N19O6 — CID 158740381
(7-chloro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-fluoro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 158740381) has the molecular formula C124H114ClF20N19O6 and a molecular weight of 2381.82 g/mol. Its IUPAC name is (7-chloro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-fluoro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
| Compound Name | (7-chloro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-fluoro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone |
|---|---|
| PubChem CID | 158740381 |
| Molecular Formula | C124H114ClF20N19O6 |
| Molecular Weight | 2381.82 g/mol |
| Exact Mass | 2379.86 |
| IUPAC Name | (7-chloro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-fluoro-2H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-fluoro-6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1-propan-2-ylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-c]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone |
| SMILES | Cc1cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2cc1F.Cc1ccc2c(c1)c(C(=O)N1CCC(c3ccccc3C(F)(F)F)CC1)nn2C(C)C.O=C(c1[nH]nc2c(Cl)cccc12)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1[nH]nc2c(F)cccc12)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2ccccc12)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2ccncc12)N1CCC(c2ccccc2C(F)(F)F)CC1 |
| InChI | InChI=1S/C24H26F3N3O.C21H19F4N3O.C20H17ClF3N3O.C20H17F4N3O.C20H18F3N3O.C19H17F3N4O/c1-15(2)30-21-9-8-16(3)14-19(21)22(28-30)23(31)29-12-10-17(11-13-29)18-6-4-5-7-20(18)24(25,26)27;1-12-10-18-15(11-17(12)22)19(27-26-18)20(29)28-8-6-13(7-9-28)14-4-2-3-5-16(14)21(23,24)25;2*21-16-7-3-5-14-17(16)25-26-18(14)19(28)27-10-8-12(9-11-27)13-4-1-2-6-15(13)20(22,23)24;21-20(22,23)16-7-3-1-5-14(16)13-9-11-26(12-10-13)19(27)18-15-6-2-4-8-17(15)24-25-18;20-19(21,22)15-4-2-1-3-13(15)12-6-9-26(10-7-12)18(27)17-14-11-23-8-5-16(14)24-25-17/h4-9,14-15,17H,10-13H2,1-3H3;2-5,10-11,13H,6-9H2,1H3,(H,26,27);2*1-7,12H,8-11H2,(H,25,26);1-8,13H,9-12H2,(H,24,25);1-5,8,11-12H,6-7,9-10H2,(H,24,25) |
| InChIKey | IMFJVGSRWBJCDI-UHFFFAOYSA-N |
| XLogP | 29.61 |
| TPSA | 295.97 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 14 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 170 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2381.82 |
| LogP ≤ 5 | 29.61 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 14 |