About tert-butyl (2S,3R,5S)-5-[3-(2-chloro-5-methyl-4-pyridinyl)propanoyl]-3-fluoro-2-methylpyrrolidine-1-carboxylate;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]propan-1-one;(2-chloro-5-methyl-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;dihydrochloride
tert-butyl (2S,3R,5S)-5-[3-(2-chloro-5-methyl-4-pyridinyl)propanoyl]-3-fluoro-2-methylpyrrolidine-1-carboxylate;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]propan-1-one;(2-chloro-5-methyl-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;dihydrochloride (PubChem CID 158873816) has the molecular formula C109H127BCl7F14N13O18S3
and a molecular weight of 2528.44 g/mol. Its IUPAC name is tert-butyl (2S,3R,5S)-5-[3-(2-chloro-5-methyl-4-pyridinyl)propanoyl]-3-fluoro-2-methylpyrrolidine-1-carboxylate;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]propan-1-one;(2-chloro-5-methyl-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;dihydrochloride.
Frequently Asked Questions
What is the IUPAC name of tert-butyl (2S,3R,5S)-5-[3-(2-chloro-5-methyl-4-pyridinyl)propanoyl]-3-fluoro-2-methylpyrrolidine-1-carboxylate;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]propan-1-one;(2-chloro-5-methyl-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;dihydrochloride?
The IUPAC name of tert-butyl (2S,3R,5S)-5-[3-(2-chloro-5-methyl-4-pyridinyl)propanoyl]-3-fluoro-2-methylpyrrolidine-1-carboxylate;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]propan-1-one;(2-chloro-5-methyl-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;dihydrochloride (CID 158873816) is tert-butyl (2S,3R,5S)-5-[3-(2-chloro-5-methyl-4-pyridinyl)propanoyl]-3-fluoro-2-methylpyrrolidine-1-carboxylate;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]propan-1-one;(2-chloro-5-methyl-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;dihydrochloride.
What is the SMILES notation for tert-butyl (2S,3R,5S)-5-[3-(2-chloro-5-methyl-4-pyridinyl)propanoyl]-3-fluoro-2-methylpyrrolidine-1-carboxylate;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]propan-1-one;(2-chloro-5-methyl-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;dihydrochloride?
The canonical SMILES for tert-butyl (2S,3R,5S)-5-[3-(2-chloro-5-methyl-4-pyridinyl)propanoyl]-3-fluoro-2-methylpyrrolidine-1-carboxylate;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]propan-1-one;(2-chloro-5-methyl-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;dihydrochloride is C[C@H]1[C@H](F)C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C.Cc1cnc(-c2ccc(C(F)(F)F)nc2)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1S(=O)(=O)c1ccc(F)cc1.Cc1cnc(Cl)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1.Cc1cnc(Cl)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1C(=O)OC(C)(C)C.Cc1cnc(Cl)cc1CCC(=O)[C@@H]1C[C@@H](F)[C@H](C)N1S(=O)(=O)c1ccc(F)cc1.Cc1cnc(Cl)cc1CN.Cl.Cl.O=S(=O)(Cl)c1ccc(F)cc1.OB(O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of tert-butyl (2S,3R,5S)-5-[3-(2-chloro-5-methyl-4-pyridinyl)propanoyl]-3-fluoro-2-methylpyrrolidine-1-carboxylate;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]propan-1-one;(2-chloro-5-methyl-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;dihydrochloride?
The InChIKey is LIAQOIYKCCSUJM-HIIAXULYSA-N. The full InChI is InChI=1S/C26H24F5N3O3S.C20H21ClF2N2O3S.C19H26ClFN2O3.C14H18ClFN2O.C11H18FNO4.C7H9ClN2.C6H5BF3NO2.C6H4ClFO2S.2ClH/c1-15-13-32-22(18-4-10-25(33-14-18)26(29,30)31)11-17(15)3-9-24(35)23-12-21(28)16(2)34(23)38(36,37)20-7-5-19(27)6-8-20;1-12-11-24-20(21)9-14(12)3-8-19(26)18-10-17(23)13(2)25(18)29(27,28)16-6-4-15(22)5-7-16;1-11-10-22-17(20)8-13(11)6-7-16(24)15-9-14(21)12(2)23(15)18(25)26-19(3,4)5;1-8-7-17-14(15)5-10(8)3-4-13(19)12-6-11(16)9(2)18-12;1-6-7(12)5-8(9(14)15)13(6)10(16)17-11(2,3)4;1-5-4-10-7(8)2-6(5)3-9;8-6(9,10)5-2-1-4(3-11-5)7(12)13;7-11(9,10)6-3-1-5(8)2-4-6;;/h4-8,10-11,13-14,16,21,23H,3,9,12H2,1-2H3;4-7,9,11,13,17-18H,3,8,10H2,1-2H3;8,10,12,14-15H,6-7,9H2,1-5H3;5,7,9,11-12,18H,3-4,6H2,1-2H3;6-8H,5H2,1-4H3,(H,14,15);2,4H,3,9H2,1H3;1-3,12-13H;1-4H;2*1H/t16-,21+,23-;13-,17+,18-;12-,14+,15-;9-,11+,12-;6-,7+,8-;;;;;/m00000...../s1.
What are the key properties of tert-butyl (2S,3R,5S)-5-[3-(2-chloro-5-methyl-4-pyridinyl)propanoyl]-3-fluoro-2-methylpyrrolidine-1-carboxylate;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]propan-1-one;(2-chloro-5-methyl-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;dihydrochloride?
tert-butyl (2S,3R,5S)-5-[3-(2-chloro-5-methyl-4-pyridinyl)propanoyl]-3-fluoro-2-methylpyrrolidine-1-carboxylate;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]propan-1-one;(2-chloro-5-methyl-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;dihydrochloride has a molecular weight of 2528.44 g/mol, XLogP of 21.78, 25 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,3R,5S)-5-[3-(2-chloro-5-methyl-4-pyridinyl)propanoyl]-3-fluoro-2-methylpyrrolidine-1-carboxylate;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2-chloro-5-methyl-4-pyridinyl)-1-[(2S,4R,5S)-4-fluoro-5-methylpyrrolidin-2-yl]propan-1-one;(2-chloro-5-methyl-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;1-[(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]-3-[5-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]-4-pyridinyl]propan-1-one;(2S,4R,5S)-4-fluoro-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid;[6-(trifluoromethyl)-3-pyridinyl]boronic acid;dihydrochloride is sourced from PubChem (CID 158873816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).