C144H151F31N24O8S7 — CID 158828821
(3-aminopiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol;cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone;cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol;(4,4-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;4-fluoro-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-piperidin-1-ylmethanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-phenylmethanone (PubChem CID 158828821) has the molecular formula C144H151F31N24O8S7 and a molecular weight of 3159.36 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol;cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone;cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol;(4,4-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;4-fluoro-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-piperidin-1-ylmethanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-phenylmethanone.
| Compound Name | (3-aminopiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol;cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone;cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol;(4,4-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;4-fluoro-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-piperidin-1-ylmethanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-phenylmethanone |
|---|---|
| PubChem CID | 158828821 |
| Molecular Formula | C144H151F31N24O8S7 |
| Molecular Weight | 3159.36 g/mol |
| Exact Mass | 3156.97 |
| IUPAC Name | (3-aminopiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;cyclohexyl-[5-[1,4-dimethyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol;cyclohexyl-[4-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]phenyl]methanone;cyclohexyl-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanol;(4,4-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;4-fluoro-1-[[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methyl]piperidine;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-piperidin-1-ylmethanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-phenylmethanone |
| SMILES | Cc1c(-c2ccc(C(O)C3CCCCC3)s2)nn(C)c1C(F)(F)F.Cn1nc(-c2ccc(C(=O)C3CCCCC3)cc2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(F)(F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(N)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)c3ccccc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(O)C3CCCCC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(CN3CCC(F)CC3)s2)cc1C(F)(F)F.Cn1nc(C(F)(F)F)cc1-c1ccc(C(=O)N2CCCCC2)cc1 |
| InChI | InChI=1S/C18H19F3N2O.C17H18F3N3O.C17H21F3N2OS.C16H19F3N2OS.C16H11F3N2OS.C15H14F5N3OS.C15H15F4N3OS.C15H17F4N3S.C15H17F3N4OS/c1-23-16(18(19,20)21)11-15(22-23)12-7-9-14(10-8-12)17(24)13-5-3-2-4-6-13;1-22-14(11-15(21-22)17(18,19)20)12-5-7-13(8-6-12)16(24)23-9-3-2-4-10-23;1-10-14(21-22(2)16(10)17(18,19)20)12-8-9-13(24-12)15(23)11-6-4-3-5-7-11;2*1-21-14(16(17,18)19)9-11(20-21)12-7-8-13(23-12)15(22)10-5-3-2-4-6-10;1-22-12(15(18,19)20)8-9(21-22)10-2-3-11(25-10)13(24)23-6-4-14(16,17)5-7-23;1-21-13(15(17,18)19)8-10(20-21)11-2-3-12(24-11)14(23)22-6-4-9(16)5-7-22;1-21-14(15(17,18)19)8-12(20-21)13-3-2-11(23-13)9-22-6-4-10(16)5-7-22;1-21-13(15(16,17)18)7-10(20-21)11-4-5-12(24-11)14(23)22-6-2-3-9(19)8-22/h7-11,13H,2-6H2,1H3;5-8,11H,2-4,9-10H2,1H3;8-9,11,15,23H,3-7H2,1-2H3;7-10,15,22H,2-6H2,1H3;2-9H,1H3;2-3,8H,4-7H2,1H3;2-3,8-9H,4-7H2,1H3;2-3,8,10H,4-7,9H2,1H3;4-5,7,9H,2-3,6,8,19H2,1H3 |
| InChIKey | IWUFFHAFPFOHOU-UHFFFAOYSA-N |
| XLogP | 37.48 |
| TPSA | 345.48 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 214 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3159.36 |
| LogP ≤ 5 | 37.48 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 35 |