About lithium;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;3-[2-chloro-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2,6-dichloro-4-pyridinyl)-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2,6-dichloro-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylic acid;methane;methyl (2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylate;methyl (2S)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate;methyl (2S,5S)-5-methylpyrrolidine-2-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine;hydroxide
lithium;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;3-[2-chloro-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2,6-dichloro-4-pyridinyl)-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2,6-dichloro-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylic acid;methane;methyl (2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylate;methyl (2S)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate;methyl (2S,5S)-5-methylpyrrolidine-2-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine;hydroxide (PubChem CID 161229022) has the molecular formula C118H144BCl6F11LiN15O28S5
and a molecular weight of 2820.31 g/mol. Its IUPAC name is lithium;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;3-[2-chloro-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2,6-dichloro-4-pyridinyl)-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2,6-dichloro-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylic acid;methane;methyl (2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylate;methyl (2S)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate;methyl (2S,5S)-5-methylpyrrolidine-2-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine;hydroxide.
Frequently Asked Questions
What is the IUPAC name of lithium;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;3-[2-chloro-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2,6-dichloro-4-pyridinyl)-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2,6-dichloro-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylic acid;methane;methyl (2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylate;methyl (2S)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate;methyl (2S,5S)-5-methylpyrrolidine-2-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine;hydroxide?
The IUPAC name of lithium;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;3-[2-chloro-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2,6-dichloro-4-pyridinyl)-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2,6-dichloro-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylic acid;methane;methyl (2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylate;methyl (2S)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate;methyl (2S,5S)-5-methylpyrrolidine-2-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine;hydroxide (CID 161229022) is lithium;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;3-[2-chloro-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2,6-dichloro-4-pyridinyl)-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2,6-dichloro-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylic acid;methane;methyl (2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylate;methyl (2S)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate;methyl (2S,5S)-5-methylpyrrolidine-2-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine;hydroxide.
What is the SMILES notation for lithium;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;3-[2-chloro-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2,6-dichloro-4-pyridinyl)-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2,6-dichloro-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylic acid;methane;methyl (2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylate;methyl (2S)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate;methyl (2S,5S)-5-methylpyrrolidine-2-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine;hydroxide?
The canonical SMILES for lithium;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;3-[2-chloro-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2,6-dichloro-4-pyridinyl)-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2,6-dichloro-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylic acid;methane;methyl (2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylate;methyl (2S)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate;methyl (2S,5S)-5-methylpyrrolidine-2-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine;hydroxide is C.C.CC1(C)OB(c2cnc(C(F)(F)F)nc2)OC1(C)C.COC(=O)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C.COC(=O)[C@@H]1CCC(C)=N1.COC(=O)[C@@H]1CC[C@H](C)N1.COC(=O)[C@@H]1CC[C@H](C)N1S(=O)(=O)c1ccc(F)cc1.C[C@H]1CC[C@@H](C(=O)CCc2cc(Cl)nc(-c3cnc(C(F)(F)F)nc3)c2)N1S(=O)(=O)c1ccc(F)cc1.C[C@H]1CC[C@@H](C(=O)CCc2cc(Cl)nc(Cl)c2)N1S(=O)(=O)c1ccc(F)cc1.C[C@H]1CC[C@@H](C(=O)O)N1S(=O)(=O)c1ccc(F)cc1.NCc1cc(Cl)nc(Cl)c1.O=S(=O)(Cl)c1ccc(F)cc1.[Li+].[OH-].
What is the InChIKey of lithium;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;3-[2-chloro-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2,6-dichloro-4-pyridinyl)-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2,6-dichloro-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylic acid;methane;methyl (2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylate;methyl (2S)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate;methyl (2S,5S)-5-methylpyrrolidine-2-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine;hydroxide?
The InChIKey is UYMRXOBPIVJGJD-LITJSNGBSA-M. The full InChI is InChI=1S/C24H21ClF4N4O3S.C19H19Cl2FN2O3S.C13H16FNO4S.C12H14FNO4S.C11H14BF3N2O2.C11H17NO5.C7H13NO2.C7H11NO2.C6H6Cl2N2.C6H4ClFO2S.2CH4.Li.H2O/c1-14-2-8-20(33(14)37(35,36)18-6-4-17(26)5-7-18)21(34)9-3-15-10-19(32-22(25)11-15)16-12-30-23(31-13-16)24(27,28)29;1-12-2-8-16(17(25)9-3-13-10-18(20)23-19(21)11-13)24(12)28(26,27)15-6-4-14(22)5-7-15;1-9-3-8-12(13(16)19-2)15(9)20(17,18)11-6-4-10(14)5-7-11;1-8-2-7-11(12(15)16)14(8)19(17,18)10-5-3-9(13)4-6-10;1-9(2)10(3,4)19-12(18-9)7-5-16-8(17-6-7)11(13,14)15;1-11(2,3)17-10(15)12-7(9(14)16-4)5-6-8(12)13;2*1-5-3-4-6(8-5)7(9)10-2;7-5-1-4(3-9)2-6(8)10-5;7-11(9,10)6-3-1-5(8)2-4-6;;;;/h4-7,10-14,20H,2-3,8-9H2,1H3;4-7,10-12,16H,2-3,8-9H2,1H3;4-7,9,12H,3,8H2,1-2H3;3-6,8,11H,2,7H2,1H3,(H,15,16);5-6H,1-4H3;7H,5-6H2,1-4H3;5-6,8H,3-4H2,1-2H3;6H,3-4H2,1-2H3;1-2H,3,9H2;1-4H;2*1H4;;1H2/q;;;;;;;;;;;;+1;/p-1/t14-,20-;12-,16-;9-,12-;8-,11-;;7-;5-,6-;6-;;;;;;/m0000.000....../s1.
What are the key properties of lithium;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;3-[2-chloro-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2,6-dichloro-4-pyridinyl)-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2,6-dichloro-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylic acid;methane;methyl (2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylate;methyl (2S)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate;methyl (2S,5S)-5-methylpyrrolidine-2-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine;hydroxide?
lithium;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;3-[2-chloro-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2,6-dichloro-4-pyridinyl)-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2,6-dichloro-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylic acid;methane;methyl (2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylate;methyl (2S)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate;methyl (2S,5S)-5-methylpyrrolidine-2-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine;hydroxide has a molecular weight of 2820.31 g/mol, XLogP of 18.02, 25 rotatable bonds, 3 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-O-tert-butyl 2-O-methyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate;3-[2-chloro-6-[2-(trifluoromethyl)pyrimidin-5-yl]-4-pyridinyl]-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;3-(2,6-dichloro-4-pyridinyl)-1-[(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidin-2-yl]propan-1-one;(2,6-dichloro-4-pyridinyl)methanamine;4-fluorobenzenesulfonyl chloride;(2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylic acid;methane;methyl (2S,5S)-1-(4-fluorophenyl)sulfonyl-5-methylpyrrolidine-2-carboxylate;methyl (2S)-5-methyl-3,4-dihydro-2H-pyrrole-2-carboxylate;methyl (2S,5S)-5-methylpyrrolidine-2-carboxylate;5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-(trifluoromethyl)pyrimidine;hydroxide is sourced from PubChem (CID 161229022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).