C144H124F33N19O19S6 — CID 161000015
1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one (PubChem CID 161000015) has the molecular formula C144H124F33N19O19S6 and a molecular weight of 3244.03 g/mol. Its IUPAC name is 1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one.
| Compound Name | 1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one |
|---|---|
| PubChem CID | 161000015 |
| Molecular Formula | C144H124F33N19O19S6 |
| Molecular Weight | 3244.03 g/mol |
| Exact Mass | 3241.71 |
| IUPAC Name | 1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidin-2-yl]-3-[6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-4-[4-(trifluoromethyl)piperidin-1-yl]-2-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[5-fluoro-4-[6-(trifluoromethyl)-3-pyridinyl]-2-pyridinyl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethoxy)phenyl]pyrimidin-4-yl]propan-1-one;1-[(2S,4R)-4-fluoro-1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-3-[6-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]propan-1-one |
| SMILES | C[C@@]1(C(=O)CCc2cc(-c3ccc(C(F)(F)F)nc3)ncn2)C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)ncn1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(CCc1cc(-c2ccc(C(F)(F)F)nc2)c(F)cn1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(CCc1cc(-c2ccc(C(F)(F)F)nc2)ncc1F)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(CCc1cc(-c2ccc(OC(F)(F)F)cc2)ncn1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1.O=C(CCc1cc(N2CCC(C(F)(F)F)CC2)c(F)cn1)[C@@H]1C[C@@H](F)CN1S(=O)(=O)c1ccc(F)cc1 |
| InChI | InChI=1S/2C24H19F6N3O3S.C24H25F6N3O3S.C24H21F5N4O3S.C24H20F5N3O4S.C24H20F5N3O3S/c25-16-3-5-18(6-4-16)37(35,36)33-13-17(26)10-21(33)22(34)7-1-14-9-20(31-12-19(14)27)15-2-8-23(32-11-15)24(28,29)30;25-15-2-5-18(6-3-15)37(35,36)33-13-16(26)9-21(33)22(34)7-4-17-10-19(20(27)12-31-17)14-1-8-23(32-11-14)24(28,29)30;25-16-1-4-19(5-2-16)37(35,36)33-14-17(26)11-22(33)23(34)6-3-18-12-21(20(27)13-31-18)32-9-7-15(8-10-32)24(28,29)30;1-23(11-17(26)13-33(23)37(35,36)19-6-3-16(25)4-7-19)22(34)9-5-18-10-20(32-14-31-18)15-2-8-21(30-12-15)24(27,28)29;25-16-3-8-20(9-4-16)37(34,35)32-13-17(26)11-22(32)23(33)10-5-18-12-21(31-14-30-18)15-1-6-19(7-2-15)36-24(27,28)29;25-17-5-8-20(9-6-17)36(34,35)32-13-18(26)11-22(32)23(33)10-7-19-12-21(31-14-30-19)15-1-3-16(4-2-15)24(27,28)29/h2-6,8-9,11-12,17,21H,1,7,10,13H2;1-3,5-6,8,10-12,16,21H,4,7,9,13H2;1-2,4-5,12-13,15,17,22H,3,6-11,14H2;2-4,6-8,10,12,14,17H,5,9,11,13H2,1H3;1-4,6-9,12,14,17,22H,5,10-11,13H2;1-6,8-9,12,14,18,22H,7,10-11,13H2/t17-,21+;16-,21+;17-,22+;17-,23+;17-,22+;18-,22+/m111111/s1 |
| InChIKey | TVSZQSMPIQCOKU-IQMJWPCVSA-N |
| XLogP | 27.41 |
| TPSA | 493.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 221 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3244.03 |
| LogP ≤ 5 | 27.41 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 32 |