About 1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;3-[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;5-fluoro-2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one
1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;3-[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;5-fluoro-2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one (PubChem CID 158183168) has the molecular formula C149H125ClF31N23O18S6
and a molecular weight of 3342.57 g/mol. Its IUPAC name is 1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;3-[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;5-fluoro-2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one.
Frequently Asked Questions
What is the IUPAC name of 1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;3-[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;5-fluoro-2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one?
The IUPAC name of 1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;3-[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;5-fluoro-2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one (CID 158183168) is 1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;3-[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;5-fluoro-2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;3-[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;5-fluoro-2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one?
The canonical SMILES for 1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;3-[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;5-fluoro-2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one is C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3ccc(C(F)(F)F)cn3)ccn2)N1S(=O)(=O)c1ccc(F)cc1.C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)c(Cl)cn2)N1S(=O)(=O)c1ccc(F)cc1.C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)c(F)cc2C#N)N1S(=O)(=O)c1ccc(F)cc1.C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)c(F)cn2)N1S(=O)(=O)c1ccc(F)cc1.C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)ccc2C#N)N1S(=O)(=O)c1ccc(F)cc1.C[C@H]1[C@H](F)C[C@@H](C(=O)CCc2cc(-c3cnc(C(F)(F)F)nc3)ccn2)N1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;3-[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;5-fluoro-2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one?
The InChIKey is FYVMVOPHVBWZTQ-BFQFRLLZSA-N. The full InChI is InChI=1S/C26H20F6N4O3S.C26H21F5N4O3S.C25H22F5N3O3S.C24H20ClF5N4O3S.C24H20F6N4O3S.C24H22F4N4O3S/c1-14-21(28)10-23(36(14)40(38,39)19-5-3-18(27)4-6-19)24(37)7-2-15-8-20(22(29)9-16(15)11-33)17-12-34-25(35-13-17)26(30,31)32;1-15-22(28)11-23(35(15)39(37,38)21-7-5-20(27)6-8-21)24(36)9-4-16-10-17(2-3-18(16)12-32)19-13-33-25(34-14-19)26(29,30)31;1-15-21(27)13-23(33(15)37(35,36)20-6-3-18(26)4-7-20)24(34)9-5-19-12-16(10-11-31-19)22-8-2-17(14-32-22)25(28,29)30;1-13-20(27)9-21(34(13)38(36,37)17-5-2-15(26)3-6-17)22(35)7-4-16-8-18(19(25)12-31-16)14-10-32-23(33-11-14)24(28,29)30;1-13-19(26)9-21(34(13)38(36,37)17-5-2-15(25)3-6-17)22(35)7-4-16-8-18(20(27)12-31-16)14-10-32-23(33-11-14)24(28,29)30;1-15-20(25)12-21(32(15)36(34,35)19-5-3-2-4-6-19)22(33)8-7-18-11-16(9-10-29-18)17-13-30-23(31-14-17)24(26,27)28/h3-6,8-9,12-14,21,23H,2,7,10H2,1H3;2-3,5-8,10,13-15,22-23H,4,9,11H2,1H3;2-4,6-8,10-12,14-15,21,23H,5,9,13H2,1H3;2-3,5-6,8,10-13,20-21H,4,7,9H2,1H3;2-3,5-6,8,10-13,19,21H,4,7,9H2,1H3;2-6,9-11,13-15,20-21H,7-8,12H2,1H3/t14-,21+,23-;15-,22+,23-;15-,21+,23-;13-,20+,21-;13-,19+,21-;15-,20+,21-/m000000/s1.
What are the key properties of 1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;3-[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;5-fluoro-2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one?
1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;3-[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;5-fluoro-2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one has a molecular weight of 3342.57 g/mol, XLogP of 28.68, 42 rotatable bonds, 0 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R,5S)-1-(benzenesulfonyl)-4-fluoro-5-methylpyrrolidin-2-yl]-3-[4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;3-[5-chloro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;5-fluoro-2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-fluoro-4-[2-(trifluoromethyl)pyrimidin-5-yl]-2-pyridinyl]propan-1-one;2-[3-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-oxopropyl]-4-[2-(trifluoromethyl)pyrimidin-5-yl]benzonitrile;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[4-[5-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propan-1-one is sourced from PubChem (CID 158183168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).