C173H170F24N24O8 — CID 158028316
(1,5-dimethylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1,6-dimethylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-6-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 158028316) has the molecular formula C173H170F24N24O8 and a molecular weight of 3169.37 g/mol. Its IUPAC name is (1,5-dimethylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1,6-dimethylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-6-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
| Compound Name | (1,5-dimethylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1,6-dimethylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-6-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone |
|---|---|
| PubChem CID | 158028316 |
| Molecular Formula | C173H170F24N24O8 |
| Molecular Weight | 3169.37 g/mol |
| Exact Mass | 3167.33 |
| IUPAC Name | (1,5-dimethylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1,6-dimethylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-5-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-6-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone |
| SMILES | CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2cc(C)ccc21.CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2ccc(C)cc21.Cc1ccc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2c1.Cc1ccc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n[nH]c2c1.Cc1ccc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(C)c2c1.Cc1ccc2c(c1)c(C(=O)N1CCC(c3ccccc3C(F)(F)F)CC1)nn2C.Cn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2ccccc21.O=C(c1n[nH]c2ccccc12)N1CCC(c2ccccc2C(F)(F)F)CC1 |
| InChI | InChI=1S/2C23H24F3N3O.2C22H22F3N3O.3C21H20F3N3O.C20H18F3N3O/c1-3-29-20-9-8-15(2)14-18(20)21(27-29)22(30)28-12-10-16(11-13-28)17-6-4-5-7-19(17)23(24,25)26;1-3-29-20-14-15(2)8-9-18(20)21(27-29)22(30)28-12-10-16(11-13-28)17-6-4-5-7-19(17)23(24,25)26;1-14-7-8-19-17(13-14)20(26-27(19)2)21(29)28-11-9-15(10-12-28)16-5-3-4-6-18(16)22(23,24)25;1-14-7-8-17-19(13-14)27(2)26-20(17)21(29)28-11-9-15(10-12-28)16-5-3-4-6-18(16)22(23,24)25;1-26-18-9-5-3-7-16(18)19(25-26)20(28)27-12-10-14(11-13-27)15-6-2-4-8-17(15)21(22,23)24;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;1-13-6-7-16-18(12-13)25-26-19(16)20(28)27-10-8-14(9-11-27)15-4-2-3-5-17(15)21(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/h2*4-9,14,16H,3,10-13H2,1-2H3;2*3-8,13,15H,9-12H2,1-2H3;2-9,14H,10-13H2,1H3;2*2-7,12,14H,8-11H2,1H3,(H,25,26);1-8,13H,9-12H2,(H,24,25) |
| InChIKey | FGWGBXFUGYACJU-UHFFFAOYSA-N |
| XLogP | 39.68 |
| TPSA | 337.62 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 229 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3169.37 |
| LogP ≤ 5 | 39.68 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 21 |