C109H96F32N20O7S7 — CID 158341352
(3,3-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-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]-(4-propan-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone (PubChem CID 158341352) has the molecular formula C109H96F32N20O7S7 and a molecular weight of 2630.50 g/mol. Its IUPAC name is (3,3-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-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]-(4-propan-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone.
| Compound Name | (3,3-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-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]-(4-propan-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone |
|---|---|
| PubChem CID | 158341352 |
| Molecular Formula | C109H96F32N20O7S7 |
| Molecular Weight | 2630.50 g/mol |
| Exact Mass | 2628.53 |
| IUPAC Name | (3,3-difluoropiperidin-1-yl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;(4-fluorophenyl)-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]methanone;[(3S)-3-fluoropyrrolidin-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]-(4-propan-2-ylpiperazin-1-yl)methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)phenyl]methanone;[5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophen-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone |
| SMILES | CC(C)N1CCN(C(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)CC1.Cn1nc(-c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CCCC(F)(F)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CC[C@@H](F)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)N3CC[C@H](F)C3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)c3ccc(C(F)(F)F)cc3)s2)cc1C(F)(F)F.Cn1nc(-c2ccc(C(=O)c3ccc(F)cc3)s2)cc1C(F)(F)F |
| InChI | InChI=1S/C17H10F6N2OS.C17H21F3N4OS.C16H15F6N3OS.C16H10F4N2OS.C15H14F5N3OS.2C14H13F4N3OS/c1-25-14(17(21,22)23)8-11(24-25)12-6-7-13(27-12)15(26)9-2-4-10(5-3-9)16(18,19)20;1-11(2)23-6-8-24(9-7-23)16(25)14-5-4-13(26-14)12-10-15(17(18,19)20)22(3)21-12;1-24-13(16(20,21)22)8-10(23-24)11-2-3-12(27-11)14(26)25-6-4-9(5-7-25)15(17,18)19;1-22-14(16(18,19)20)8-11(21-22)12-6-7-13(24-12)15(23)9-2-4-10(17)5-3-9;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;2*1-20-12(14(16,17)18)6-9(19-20)10-2-3-11(23-10)13(22)21-5-4-8(15)7-21/h2-8H,1H3;4-5,10-11H,6-9H2,1-3H3;2-3,8-9H,4-7H2,1H3;2-8H,1H3;3-4,7H,2,5-6,8H2,1H3;2*2-3,6,8H,4-5,7H2,1H3/t;;;;;2*8-/m.....10/s1 |
| InChIKey | GREWILXJPJGFJP-UVYPIHEGSA-N |
| XLogP | 28.61 |
| TPSA | 263.67 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 17 |
| Heavy Atoms | 175 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2630.50 |
| LogP ≤ 5 | 28.61 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 29 |