C107H105F33N22O8S7 — CID 159268417
(4-aminopiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3,3-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4,4-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 159268417) has the molecular formula C107H105F33N22O8S7 and a molecular weight of 2678.57 g/mol. Its IUPAC name is (4-aminopiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3,3-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4,4-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone.
| Compound Name | (4-aminopiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3,3-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4,4-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone |
|---|---|
| PubChem CID | 159268417 |
| Molecular Formula | C107H105F33N22O8S7 |
| Molecular Weight | 2678.57 g/mol |
| Exact Mass | 2676.60 |
| IUPAC Name | (4-aminopiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3,3-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4,4-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(3-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[4-hydroxy-4-(trifluoromethyl)piperidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[3-(trifluoromethyl)piperidin-1-yl]methanone |
| SMILES | 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)N3CCC(N)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCC(O)(C(F)(F)F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(C(F)(F)F)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(F)(F)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(F)C3)s2)cc1C(F)(F)F |
| InChI | InChI=1S/C16H15F6N3O2S.C16H15F6N3OS.2C15H14F5N3OS.2C15H15F4N3OS.C15H17F3N4OS/c1-24-12(15(17,18)19)8-9(23-24)10-2-3-11(28-10)13(26)25-6-4-14(27,5-7-25)16(20,21)22;1-24-13(16(20,21)22)7-10(23-24)11-4-5-12(27-11)14(26)25-6-2-3-9(8-25)15(17,18)19;1-22-12(15(18,19)20)7-9(21-22)10-3-4-11(25-10)13(24)23-6-2-5-14(16,17)8-23;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;1-21-13(15(17,18)19)7-10(20-21)11-4-5-12(24-11)14(23)22-6-2-3-9(16)8-22;1-21-13(15(16,17)18)8-10(20-21)11-2-3-12(24-11)14(23)22-6-4-9(19)5-7-22/h2-3,8,27H,4-7H2,1H3;4-5,7,9H,2-3,6,8H2,1H3;3-4,7H,2,5-6,8H2,1H3;2-3,8H,4-7H2,1H3;2-3,8-9H,4-7H2,1H3;4-5,7,9H,2-3,6,8H2,1H3;2-3,8-9H,4-7,19H2,1H3 |
| InChIKey | KXJXZLOVPRBHFW-UHFFFAOYSA-N |
| XLogP | 26.57 |
| TPSA | 313.16 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 30 |
| Rotatable Bonds | 14 |
| Heavy Atoms | 177 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2678.57 |
| LogP ≤ 5 | 26.57 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 30 |