C171H159ClF24N26O11 — CID 159751864
(6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[6-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1H-indazole-5-carbonitrile (PubChem CID 159751864) has the molecular formula C171H159ClF24N26O11 and a molecular weight of 3245.73 g/mol. Its IUPAC name is (6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[6-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1H-indazole-5-carbonitrile.
| Compound Name | (6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[6-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1H-indazole-5-carbonitrile |
|---|---|
| PubChem CID | 159751864 |
| Molecular Formula | C171H159ClF24N26O11 |
| Molecular Weight | 3245.73 g/mol |
| Exact Mass | 3243.20 |
| IUPAC Name | (6-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone);[5-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[6-methyl-1-(oxetan-3-yl)indazol-3-yl]-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-pyrazolo[4,3-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-1H-indazole-5-carbonitrile |
| SMILES | COc1ccc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n[nH]c2c1.Cc1ccc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2c1.Cc1ccc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2c1.Cc1ccc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(C3COC3)c2c1.Cc1ccc2c(c1)c(C(=O)N1CCC(c3ccccc3C(F)(F)F)CC1)nn2C1COC1.N#Cc1ccc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2c1.O=C(c1n[nH]c2cc(Cl)ccc12)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2cccnc12)N1CCC(c2ccccc2C(F)(F)F)CC1 |
| InChI | InChI=1S/2C24H24F3N3O2.C21H17F3N4O.C21H20F3N3O2.2C21H20F3N3O.C20H17ClF3N3O.C19H17F3N4O/c1-15-6-7-21-19(12-15)22(28-30(21)17-13-32-14-17)23(31)29-10-8-16(9-11-29)18-4-2-3-5-20(18)24(25,26)27;1-15-6-7-19-21(12-15)30(17-13-32-14-17)28-22(19)23(31)29-10-8-16(9-11-29)18-4-2-3-5-20(18)24(25,26)27;22-21(23,24)17-4-2-1-3-15(17)14-7-9-28(10-8-14)20(29)19-16-11-13(12-25)5-6-18(16)26-27-19;1-29-14-6-7-16-18(12-14)25-26-19(16)20(28)27-10-8-13(9-11-27)15-4-2-3-5-17(15)21(22,23)24;2*1-13-6-7-18-16(12-13)19(26-25-18)20(28)27-10-8-14(9-11-27)15-4-2-3-5-17(15)21(22,23)24;21-13-5-6-15-17(11-13)25-26-18(15)19(28)27-9-7-12(8-10-27)14-3-1-2-4-16(14)20(22,23)24;20-19(21,22)14-5-2-1-4-13(14)12-7-10-26(11-8-12)18(27)17-16-15(24-25-17)6-3-9-23-16/h2*2-7,12,16-17H,8-11,13-14H2,1H3;1-6,11,14H,7-10H2,(H,26,27);2-7,12-13H,8-11H2,1H3,(H,25,26);2*2-7,12,14H,8-11H2,1H3,(H,25,26);1-6,11-12H,7-10H2,(H,25,26);1-6,9,12H,7-8,10-11H2,(H,24,25) |
| InChIKey | NDTDVFSXFHNNJR-UHFFFAOYSA-N |
| XLogP | 38.06 |
| TPSA | 434.57 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 23 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 233 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3245.73 |
| LogP ≤ 5 | 38.06 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 23 |