C170H161ClF25N25O10 — CID 158090035
(5-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-6-methylindazol-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;(5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((6-methyl-1H-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;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone (PubChem CID 158090035) has the molecular formula C170H161ClF25N25O10 and a molecular weight of 3224.73 g/mol. Its IUPAC name is (5-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-6-methylindazol-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;(5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((6-methyl-1H-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;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone.
| Compound Name | (5-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-6-methylindazol-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;(5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((6-methyl-1H-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;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone |
|---|---|
| PubChem CID | 158090035 |
| Molecular Formula | C170H161ClF25N25O10 |
| Molecular Weight | 3224.73 g/mol |
| Exact Mass | 3222.21 |
| IUPAC Name | (5-chloro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-ethyl-6-methylindazol-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;(5-methoxy-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;bis((6-methyl-1H-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;2H-pyrazolo[3,4-b]pyridin-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone |
| SMILES | CCn1nc(C(=O)N2CCC(c3ccccc3C(F)(F)F)CC2)c2ccc(C)cc21.COc1ccc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2c1.Cc1cc2[nH]nc(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)c2cc1F.Cc1ccc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n[nH]c2c1.Cc1ccc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)n[nH]c2c1.Cc1ccc2c(C(=O)N3CCC(c4ccccc4C(F)(F)F)CC3)nn(C3COC3)c2c1.O=C(c1[nH]nc2ncccc12)N1CCC(c2ccccc2C(F)(F)F)CC1.O=C(c1n[nH]c2ccc(Cl)cc12)N1CCC(c2ccccc2C(F)(F)F)CC1 |
| InChI | InChI=1S/C24H24F3N3O2.C23H24F3N3O.C21H19F4N3O.C21H20F3N3O2.2C21H20F3N3O.C20H17ClF3N3O.C19H17F3N4O/c1-15-6-7-19-21(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;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;1-12-10-18-15(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;1-29-14-6-7-18-16(12-14)19(26-25-18)20(28)27-10-8-13(9-11-27)15-4-2-3-5-17(15)21(22,23)24;2*1-13-6-7-16-18(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;21-13-5-6-17-15(11-13)18(26-25-17)19(28)27-9-7-12(8-10-27)14-3-1-2-4-16(14)20(22,23)24;20-19(21,22)15-6-2-1-4-13(15)12-7-10-26(11-8-12)18(27)16-14-5-3-9-23-17(14)25-24-16/h2-7,12,16-17H,8-11,13-14H2,1H3;4-9,14,16H,3,10-13H2,1-2H3;2-5,10-11,13H,6-9H2,1H3,(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,23,24,25) |
| InChIKey | FNZIFFQQFIIIHZ-UHFFFAOYSA-N |
| XLogP | 39.09 |
| TPSA | 401.55 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 231 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3224.73 |
| LogP ≤ 5 | 39.09 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 21 |