lithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide

C247H285Br2F21LiN60NaO37S3 — CID 157264999

IUPAClithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide
SMILESC.C/C=C/[C@@H](C)NC(=O)OC(C)(C)C.CCOC(=O)c1cnn2ccc(Br)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)c[nH]c3=O)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3/C=C/C(C)C)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3CCC(C)C)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3CC[C@@H](C)N)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3OC)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3OS(=O)(=O)C(F)(F)F)nc12.COC(=O)C1CCCN1.COC(=O)C1CCCN1c1cc(F)cnc1C.C[C@@H](N)CCc1ncc(F)cc1N1CCCC1c1ccn2ncc(C(=O)O)c2n1.C[C@@H]1CCc2ncc(F)cc2N2CCCC2c2ccn3ncc(c3n2)C(=O)N1.C[C@@H]1CCc2ncc(F)cc2N2CCCC2c2ccn3ncc(c3n2)C(=O)N1.Cc1ncc(F)cc1Br.Cc1ncc(F)cc1N1CCCC1C(=O)O.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.[H][H].[Li+].[Na+].[OH-].[OH-]
InChIInChI=1S/C23H28FN5O2.C23H26FN5O2.C22H27FN6O2.C20H23FN6O2.2C20H21FN6O.C19H17F4N5O5S.C19H20FN5O3.C18H18FN5O3.C12H15FN2O2.C11H13FN2O2.C10H19NO2.C9H8BrN3O2.C8H5F6NO4S2.C6H5BrFN.C6H11NO2.CH4.Li.Na.2H2O.H2/c2*1-4-31-23(30)17-14-26-29-11-9-19(27-22(17)29)20-6-5-10-28(20)21-12-16(24)13-25-18(21)8-7-15(2)3;1-3-31-22(30)16-13-26-29-10-8-18(27-21(16)29)19-5-4-9-28(19)20-11-15(23)12-25-17(20)7-6-14(2)24;1-12(22)4-5-15-18(9-13(21)10-23-15)26-7-2-3-17(26)16-6-8-27-19(25-16)14(11-24-27)20(28)29;2*1-12-4-5-15-18(9-13(21)10-22-15)26-7-2-3-17(26)16-6-8-27-19(25-16)14(11-23-27)20(28)24-12;1-2-32-18(29)12-10-25-28-7-5-13(26-16(12)28)14-4-3-6-27(14)15-8-11(20)9-24-17(15)33-34(30,31)19(21,22)23;1-3-28-19(26)13-11-22-25-8-6-14(23-17(13)25)15-5-4-7-24(15)16-9-12(20)10-21-18(16)27-2;1-2-27-18(26)12-10-21-24-7-5-13(22-16(12)24)14-4-3-6-23(14)15-8-11(19)9-20-17(15)25;1-8-11(6-9(13)7-14-8)15-5-3-4-10(15)12(16)17-2;1-7-10(5-8(12)6-13-7)14-4-2-3-9(14)11(15)16;1-6-7-8(2)11-9(12)13-10(3,4)5;1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;1-4-6(7)2-5(8)3-9-4;1-9-6(8)5-3-2-4-7-5;;;;;;/h9,11-15,20H,4-8,10H2,1-3H3;7-9,11-15,20H,4-6,10H2,1-3H3;8,10-14,19H,3-7,9,24H2,1-2H3;6,8-12,17H,2-5,7,22H2,1H3,(H,28,29);2*6,8-12,17H,2-5,7H2,1H3,(H,24,28);5,7-10,14H,2-4,6H2,1H3;6,8-11,15H,3-5,7H2,1-2H3;5,7-10,14H,2-4,6H2,1H3,(H,20,25);6-7,10H,3-5H2,1-2H3;5-6,9H,2-4H2,1H3,(H,15,16);6-8H,1-5H3,(H,11,12);3-5H,2H2,1H3;1-5H;2-3H,1H3;5,7H,2-4H2,1H3;1H4;;;2*1H2;1H/q;;;;;;;;;;;;;;;;;2*+1;;;/p-2/b;8-7+;;;;;;;;;;7-6+;;;;;;;;;;/t;;14-,19?;3*12-,17?;;;;;;8-;;;;;;;;;;/m..1111.....1........../s1
InChIKeyAXWXFDWUJIOAKH-SLYGRQDHSA-L
MW5371.28 g/mol
LogP34.01
Rot. Bonds53

About lithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide

lithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide (PubChem CID 157264999) has the molecular formula C247H285Br2F21LiN60NaO37S3 and a molecular weight of 5371.28 g/mol. Its IUPAC name is lithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide.

Molecular Properties

Compound Namelithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide
PubChem CID157264999
Molecular FormulaC247H285Br2F21LiN60NaO37S3
Molecular Weight5371.28 g/mol
Exact Mass5365.95
IUPAC Namelithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide
SMILESC.C/C=C/[C@@H](C)NC(=O)OC(C)(C)C.CCOC(=O)c1cnn2ccc(Br)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)c[nH]c3=O)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3/C=C/C(C)C)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3CCC(C)C)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3CC[C@@H](C)N)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3OC)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3OS(=O)(=O)C(F)(F)F)nc12.COC(=O)C1CCCN1.COC(=O)C1CCCN1c1cc(F)cnc1C.C[C@@H](N)CCc1ncc(F)cc1N1CCCC1c1ccn2ncc(C(=O)O)c2n1.C[C@@H]1CCc2ncc(F)cc2N2CCCC2c2ccn3ncc(c3n2)C(=O)N1.C[C@@H]1CCc2ncc(F)cc2N2CCCC2c2ccn3ncc(c3n2)C(=O)N1.Cc1ncc(F)cc1Br.Cc1ncc(F)cc1N1CCCC1C(=O)O.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.[H][H].[Li+].[Na+].[OH-].[OH-]
InChIInChI=1S/C23H28FN5O2.C23H26FN5O2.C22H27FN6O2.C20H23FN6O2.2C20H21FN6O.C19H17F4N5O5S.C19H20FN5O3.C18H18FN5O3.C12H15FN2O2.C11H13FN2O2.C10H19NO2.C9H8BrN3O2.C8H5F6NO4S2.C6H5BrFN.C6H11NO2.CH4.Li.Na.2H2O.H2/c2*1-4-31-23(30)17-14-26-29-11-9-19(27-22(17)29)20-6-5-10-28(20)21-12-16(24)13-25-18(21)8-7-15(2)3;1-3-31-22(30)16-13-26-29-10-8-18(27-21(16)29)19-5-4-9-28(19)20-11-15(23)12-25-17(20)7-6-14(2)24;1-12(22)4-5-15-18(9-13(21)10-23-15)26-7-2-3-17(26)16-6-8-27-19(25-16)14(11-24-27)20(28)29;2*1-12-4-5-15-18(9-13(21)10-22-15)26-7-2-3-17(26)16-6-8-27-19(25-16)14(11-23-27)20(28)24-12;1-2-32-18(29)12-10-25-28-7-5-13(26-16(12)28)14-4-3-6-27(14)15-8-11(20)9-24-17(15)33-34(30,31)19(21,22)23;1-3-28-19(26)13-11-22-25-8-6-14(23-17(13)25)15-5-4-7-24(15)16-9-12(20)10-21-18(16)27-2;1-2-27-18(26)12-10-21-24-7-5-13(22-16(12)24)14-4-3-6-23(14)15-8-11(19)9-20-17(15)25;1-8-11(6-9(13)7-14-8)15-5-3-4-10(15)12(16)17-2;1-7-10(5-8(12)6-13-7)14-4-2-3-9(14)11(15)16;1-6-7-8(2)11-9(12)13-10(3,4)5;1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;1-4-6(7)2-5(8)3-9-4;1-9-6(8)5-3-2-4-7-5;;;;;;/h9,11-15,20H,4-8,10H2,1-3H3;7-9,11-15,20H,4-6,10H2,1-3H3;8,10-14,19H,3-7,9,24H2,1-2H3;6,8-12,17H,2-5,7,22H2,1H3,(H,28,29);2*6,8-12,17H,2-5,7H2,1H3,(H,24,28);5,7-10,14H,2-4,6H2,1H3;6,8-11,15H,3-5,7H2,1-2H3;5,7-10,14H,2-4,6H2,1H3,(H,20,25);6-7,10H,3-5H2,1-2H3;5-6,9H,2-4H2,1H3,(H,15,16);6-8H,1-5H3,(H,11,12);3-5H,2H2,1H3;1-5H;2-3H,1H3;5,7H,2-4H2,1H3;1H4;;;2*1H2;1H/q;;;;;;;;;;;;;;;;;2*+1;;;/p-2/b;8-7+;;;;;;;;;;7-6+;;;;;;;;;;/t;;14-,19?;3*12-,17?;;;;;;8-;;;;;;;;;;/m..1111.....1........../s1
InChIKeyAXWXFDWUJIOAKH-SLYGRQDHSA-L
XLogP34.01
TPSA1168.21 Ų
H-Bond Donors9
H-Bond Acceptors90
Rotatable Bonds53
Heavy Atoms372
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005371.28
LogP ≤ 534.01
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1090

Analyze lithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of lithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide?
The IUPAC name of lithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide (CID 157264999) is lithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide.
What is the SMILES notation for lithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide?
The canonical SMILES for lithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide is C.C/C=C/[C@@H](C)NC(=O)OC(C)(C)C.CCOC(=O)c1cnn2ccc(Br)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)c[nH]c3=O)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3/C=C/C(C)C)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3CCC(C)C)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3CC[C@@H](C)N)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3OC)nc12.CCOC(=O)c1cnn2ccc(C3CCCN3c3cc(F)cnc3OS(=O)(=O)C(F)(F)F)nc12.COC(=O)C1CCCN1.COC(=O)C1CCCN1c1cc(F)cnc1C.C[C@@H](N)CCc1ncc(F)cc1N1CCCC1c1ccn2ncc(C(=O)O)c2n1.C[C@@H]1CCc2ncc(F)cc2N2CCCC2c2ccn3ncc(c3n2)C(=O)N1.C[C@@H]1CCc2ncc(F)cc2N2CCCC2c2ccn3ncc(c3n2)C(=O)N1.Cc1ncc(F)cc1Br.Cc1ncc(F)cc1N1CCCC1C(=O)O.O=S(=O)(N(c1ccccc1)S(=O)(=O)C(F)(F)F)C(F)(F)F.[H][H].[Li+].[Na+].[OH-].[OH-].
What is the InChIKey of lithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide?
The InChIKey is AXWXFDWUJIOAKH-SLYGRQDHSA-L. The full InChI is InChI=1S/C23H28FN5O2.C23H26FN5O2.C22H27FN6O2.C20H23FN6O2.2C20H21FN6O.C19H17F4N5O5S.C19H20FN5O3.C18H18FN5O3.C12H15FN2O2.C11H13FN2O2.C10H19NO2.C9H8BrN3O2.C8H5F6NO4S2.C6H5BrFN.C6H11NO2.CH4.Li.Na.2H2O.H2/c2*1-4-31-23(30)17-14-26-29-11-9-19(27-22(17)29)20-6-5-10-28(20)21-12-16(24)13-25-18(21)8-7-15(2)3;1-3-31-22(30)16-13-26-29-10-8-18(27-21(16)29)19-5-4-9-28(19)20-11-15(23)12-25-17(20)7-6-14(2)24;1-12(22)4-5-15-18(9-13(21)10-23-15)26-7-2-3-17(26)16-6-8-27-19(25-16)14(11-24-27)20(28)29;2*1-12-4-5-15-18(9-13(21)10-22-15)26-7-2-3-17(26)16-6-8-27-19(25-16)14(11-23-27)20(28)24-12;1-2-32-18(29)12-10-25-28-7-5-13(26-16(12)28)14-4-3-6-27(14)15-8-11(20)9-24-17(15)33-34(30,31)19(21,22)23;1-3-28-19(26)13-11-22-25-8-6-14(23-17(13)25)15-5-4-7-24(15)16-9-12(20)10-21-18(16)27-2;1-2-27-18(26)12-10-21-24-7-5-13(22-16(12)24)14-4-3-6-23(14)15-8-11(19)9-20-17(15)25;1-8-11(6-9(13)7-14-8)15-5-3-4-10(15)12(16)17-2;1-7-10(5-8(12)6-13-7)14-4-2-3-9(14)11(15)16;1-6-7-8(2)11-9(12)13-10(3,4)5;1-2-15-9(14)6-5-11-13-4-3-7(10)12-8(6)13;9-7(10,11)20(16,17)15(6-4-2-1-3-5-6)21(18,19)8(12,13)14;1-4-6(7)2-5(8)3-9-4;1-9-6(8)5-3-2-4-7-5;;;;;;/h9,11-15,20H,4-8,10H2,1-3H3;7-9,11-15,20H,4-6,10H2,1-3H3;8,10-14,19H,3-7,9,24H2,1-2H3;6,8-12,17H,2-5,7,22H2,1H3,(H,28,29);2*6,8-12,17H,2-5,7H2,1H3,(H,24,28);5,7-10,14H,2-4,6H2,1H3;6,8-11,15H,3-5,7H2,1-2H3;5,7-10,14H,2-4,6H2,1H3,(H,20,25);6-7,10H,3-5H2,1-2H3;5-6,9H,2-4H2,1H3,(H,15,16);6-8H,1-5H3,(H,11,12);3-5H,2H2,1H3;1-5H;2-3H,1H3;5,7H,2-4H2,1H3;1H4;;;2*1H2;1H/q;;;;;;;;;;;;;;;;;2*+1;;;/p-2/b;8-7+;;;;;;;;;;7-6+;;;;;;;;;;/t;;14-,19?;3*12-,17?;;;;;;8-;;;;;;;;;;/m..1111.....1........../s1.
What are the key properties of lithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide?
lithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide has a molecular weight of 5371.28 g/mol, XLogP of 34.01, 53 rotatable bonds, 9 hydrogen bond donors, and 90 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;sodium;5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;3-bromo-5-fluoro-2-methylpyridine;tert-butyl N-[(E,2R)-pent-3-en-2-yl]carbamate;ethyl 5-[1-[2-[(3R)-3-aminobutyl]-5-fluoro-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-bromopyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-[(E)-3-methylbut-1-enyl]-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(3-methylbutyl)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-(5-fluoro-2-oxo-1H-pyridin-3-yl)pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[1-[5-fluoro-2-(trifluoromethylsulfonyloxy)-3-pyridinyl]pyrrolidin-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;bis((15R)-9-fluoro-15-methyl-6,11,16,20,21,24-hexazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one);1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylic acid;methane;methyl 1-(5-fluoro-2-methyl-3-pyridinyl)pyrrolidine-2-carboxylate;methyl pyrrolidine-2-carboxylate;molecular hydrogen;1,1,1-trifluoro-N-phenyl-N-(trifluoromethylsulfonyl)methanesulfonamide;dihydroxide is sourced from PubChem (CID 157264999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).