sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide

C102H85Cl3F9N20NaO11 — CID 159238862

IUPACsodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide
SMILESCOC(=O)c1cc(Cl)nc(-c2c(C)nc3ccccn23)c1.COC(=O)c1cc(Cl)nc(Cl)c1.COC(=O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C)nc3ccccn23)c1.Cc1ccc(N)cc1.Cc1nc2ccccn2c1-c1cc(C(=O)O)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccn2c1-c1cc(C(=O)ON)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccn2c1C.[Na+].[OH-]
InChIInChI=1S/C22H17F3N4O2.C21H16F3N5O2.C21H15F3N4O2.C15H12ClN3O2.C9H10N2.C7H5Cl2NO2.C7H9N.Na.H2O/c1-13-20(29-10-4-3-5-19(29)26-13)17-11-14(21(30)31-2)12-18(28-17)27-16-8-6-15(7-9-16)22(23,24)25;1-12-19(29-9-3-2-4-18(29)26-12)16-10-13(20(30)31-25)11-17(28-16)27-15-7-5-14(6-8-15)21(22,23)24;1-12-19(28-9-3-2-4-18(28)25-12)16-10-13(20(29)30)11-17(27-16)26-15-7-5-14(6-8-15)21(22,23)24;1-9-14(19-6-4-3-5-13(19)17-9)11-7-10(15(20)21-2)8-12(16)18-11;1-7-8(2)11-6-4-3-5-9(11)10-7;1-12-7(11)4-2-5(8)10-6(9)3-4;1-6-2-4-7(8)5-3-6;;/h3-12H,1-2H3,(H,27,28);2-11H,25H2,1H3,(H,27,28);2-11H,1H3,(H,26,27)(H,29,30);3-8H,1-2H3;3-6H,1-2H3;2-3H,1H3;2-5H,8H2,1H3;;1H2/q;;;;;;;+1;/p-1
InChIKeyKTUWCEMJLVYIFJ-UHFFFAOYSA-M
MW2067.26 g/mol
LogP20.59
Rot. Bonds15

About sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide

sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide (PubChem CID 159238862) has the molecular formula C102H85Cl3F9N20NaO11 and a molecular weight of 2067.26 g/mol. Its IUPAC name is sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide.

Molecular Properties

Compound Namesodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide
PubChem CID159238862
Molecular FormulaC102H85Cl3F9N20NaO11
Molecular Weight2067.26 g/mol
Exact Mass2064.55
IUPAC Namesodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide
SMILESCOC(=O)c1cc(Cl)nc(-c2c(C)nc3ccccn23)c1.COC(=O)c1cc(Cl)nc(Cl)c1.COC(=O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C)nc3ccccn23)c1.Cc1ccc(N)cc1.Cc1nc2ccccn2c1-c1cc(C(=O)O)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccn2c1-c1cc(C(=O)ON)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccn2c1C.[Na+].[OH-]
InChIInChI=1S/C22H17F3N4O2.C21H16F3N5O2.C21H15F3N4O2.C15H12ClN3O2.C9H10N2.C7H5Cl2NO2.C7H9N.Na.H2O/c1-13-20(29-10-4-3-5-19(29)26-13)17-11-14(21(30)31-2)12-18(28-17)27-16-8-6-15(7-9-16)22(23,24)25;1-12-19(29-9-3-2-4-18(29)26-12)16-10-13(20(30)31-25)11-17(28-16)27-15-7-5-14(6-8-15)21(22,23)24;1-12-19(28-9-3-2-4-18(28)25-12)16-10-13(20(29)30)11-17(27-16)26-15-7-5-14(6-8-15)21(22,23)24;1-9-14(19-6-4-3-5-13(19)17-9)11-7-10(15(20)21-2)8-12(16)18-11;1-7-8(2)11-6-4-3-5-9(11)10-7;1-12-7(11)4-2-5(8)10-6(9)3-4;1-6-2-4-7(8)5-3-6;;/h3-12H,1-2H3,(H,27,28);2-11H,25H2,1H3,(H,27,28);2-11H,1H3,(H,26,27)(H,29,30);3-8H,1-2H3;3-6H,1-2H3;2-3H,1H3;2-5H,8H2,1H3;;1H2/q;;;;;;;+1;/p-1
InChIKeyKTUWCEMJLVYIFJ-UHFFFAOYSA-M
XLogP20.59
TPSA411.58 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds15
Heavy Atoms146
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002067.26
LogP ≤ 520.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide with MolForge

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Related Compounds

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3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;[2-chloro-6-(trifluoromethyl)phenyl]-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanol;methyl 4-[3-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]benzoate;4-[3-[[2-methyl-6-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-1-yl]benzoic acid;molecular hydrogen;1H-pyrrolo[2,3-b]pyridine
CID 157469514
lithium;N-(2-aminophenyl)-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;benzene-1,2-diamine;3-chloropentane-2,4-dione;(E)-3-(dimethylamino)-1-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]prop-2-en-1-one;ethyl 4-(diaminomethylideneamino)benzoate;ethyl 4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoate;N-hydroxy-4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzamide;1-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]ethanone;4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]benzoic acid;4-[[4-[2-methyl-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl]amino]-N-(oxan-2-yl)benzamide;5-(trifluoromethyl)pyridin-2-amine;hydroxide
CID 157533653
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(2-methyl-4-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid
CID 157797980
Tert-butyl 2-(3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)acetate;2-(2,5-difluorophenyl)imidazo[1,2-a]pyridin-7-amine;2-(2,5-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine;3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid;methyl 3-fluoro-2-phenylimidazo[1,2-a]pyridine-7-carboxylate;methyl 3-fluoro-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylate;methyl 2-[(2,2,2-trifluoro-1-phenylethylidene)amino]pyridine-4-carboxylate;hydrochloride
CID 157972960
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;methyl 4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate;N-(3-morpholin-4-ylpropyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid
CID 158195131
2-amino-N-(2,2,2-trifluoroethyl)acetamide;5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylic acid;4-[5-[(E)-2-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridin-8-yl]-4-oxo-N-(2,2,2-trifluoroethyl)butanamide;methyl 5-[(E)-2-[5-(3-chloro-5-methylphenyl)-5-methyl-4H-1,2-oxazol-3-yl]ethenyl]imidazo[1,5-a]pyridine-8-carboxylate
CID 158205819
1-(5-Fluoro-2-pyridinyl)indole-5-carboxylic acid;1-(6-methoxy-3-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid;1-pyridin-2-ylindole-5-carboxylic acid;1-pyridin-3-ylindole-5-carboxylic acid;1-pyridin-4-ylindole-5-carboxylic acid;1-pyrimidin-5-ylindole-5-carboxylic acid;1-[5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-[6-(trifluoromethyl)-3-pyridinyl]indole-5-carboxylic acid
CID 158411968
3-[4-(5-chloro-3-pyridinyl)-2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;5-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one;3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2R)-2-methylpiperidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridine-6-carboxylic acid;5-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[(2S)-2-(trifluoromethyl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-3H-1,3,4-oxadiazol-2-one
CID 158428717
4-[[2-(4-Chlorophenyl)-6-(2,6-difluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridine-6-carboxylic acid;4-[[2-(4-chlorophenyl)-6-pyrrolidin-1-ylimidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[[2-(4-chlorophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]methyl]morpholine;4-[(6-phenyl-2-propan-2-ylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine;4-[(6-phenyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)methyl]morpholine
CID 158505910
1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]indole-5-carboxylic acid;1-(2-fluoro-5-methyl-3-pyridinyl)indole-5-carboxylic acid;1-(4-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(5-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(6-methyl-2-pyridinyl)indole-5-carboxylic acid;1-(2-methylpyrimidin-4-yl)indole-5-carboxylic acid
CID 158545391
sodium;amino 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;4-methylaniline;2-methyl-1H-benzimidazole;2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-chloro-6-(2-methylbenzimidazol-1-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;methyl 2-(2-methylbenzimidazol-1-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide
CID 158688884

Frequently Asked Questions

What is the IUPAC name of sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide?
The IUPAC name of sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide (CID 159238862) is sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide.
What is the SMILES notation for sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide?
The canonical SMILES for sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide is COC(=O)c1cc(Cl)nc(-c2c(C)nc3ccccn23)c1.COC(=O)c1cc(Cl)nc(Cl)c1.COC(=O)c1cc(Nc2ccc(C(F)(F)F)cc2)nc(-c2c(C)nc3ccccn23)c1.Cc1ccc(N)cc1.Cc1nc2ccccn2c1-c1cc(C(=O)O)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccn2c1-c1cc(C(=O)ON)cc(Nc2ccc(C(F)(F)F)cc2)n1.Cc1nc2ccccn2c1C.[Na+].[OH-].
What is the InChIKey of sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide?
The InChIKey is KTUWCEMJLVYIFJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H17F3N4O2.C21H16F3N5O2.C21H15F3N4O2.C15H12ClN3O2.C9H10N2.C7H5Cl2NO2.C7H9N.Na.H2O/c1-13-20(29-10-4-3-5-19(29)26-13)17-11-14(21(30)31-2)12-18(28-17)27-16-8-6-15(7-9-16)22(23,24)25;1-12-19(29-9-3-2-4-18(29)26-12)16-10-13(20(30)31-25)11-17(28-16)27-15-7-5-14(6-8-15)21(22,23)24;1-12-19(28-9-3-2-4-18(28)25-12)16-10-13(20(29)30)11-17(27-16)26-15-7-5-14(6-8-15)21(22,23)24;1-9-14(19-6-4-3-5-13(19)17-9)11-7-10(15(20)21-2)8-12(16)18-11;1-7-8(2)11-6-4-3-5-9(11)10-7;1-12-7(11)4-2-5(8)10-6(9)3-4;1-6-2-4-7(8)5-3-6;;/h3-12H,1-2H3,(H,27,28);2-11H,25H2,1H3,(H,27,28);2-11H,1H3,(H,26,27)(H,29,30);3-8H,1-2H3;3-6H,1-2H3;2-3H,1H3;2-5H,8H2,1H3;;1H2/q;;;;;;;+1;/p-1.
What are the key properties of sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide?
sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide has a molecular weight of 2067.26 g/mol, XLogP of 20.59, 15 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;amino 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;2,3-dimethylimidazo[1,2-a]pyridine;4-methylaniline;methyl 2-chloro-6-(2-methylimidazo[1,2-a]pyridin-3-yl)pyridine-4-carboxylate;methyl 2,6-dichloropyridine-4-carboxylate;2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;methyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylate;hydroxide is sourced from PubChem (CID 159238862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).