N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline

C141H113FN24O2S — CID 160634732

IUPACN-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCN(C)C)n3c2)ccc1F.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccc3ncc(C(C)=O)n3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccc3ncc([N+]#[C-])n3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccc3nccnc3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccn3cncc3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccn3nccc3n2)c1
InChIInChI=1S/C24H24FN5O.C21H17N3O.C20H14N4.C20H15N3.C19H15N3.C19H14N2S.C18H14N4/c1-16-13-17(6-8-20(16)25)23-19(5-4-10-26-23)18-7-9-22-28-14-21(30(22)15-18)24(31)27-11-12-29(2)3;1-14-5-3-6-16(11-14)21-18(7-4-10-22-21)17-8-9-20-23-12-19(15(2)25)24(20)13-17;1-14-5-3-6-15(11-14)20-17(7-4-10-22-20)16-8-9-18-23-12-19(21-2)24(18)13-16;1-14-4-2-5-16(12-14)20-17(6-3-9-23-20)15-7-8-18-19(13-15)22-11-10-21-18;1-14-4-2-5-16(10-14)19-18(6-3-8-21-19)15-7-9-22-13-20-12-17(22)11-15;1-13-4-2-5-15(10-13)19-16(6-3-9-20-19)14-7-8-17-18(11-14)22-12-21-17;1-13-4-2-5-14(12-13)18-15(6-3-9-19-18)16-8-11-22-17(21-16)7-10-20-22/h4-10,13-15H,11-12H2,1-3H3,(H,27,31);3-13H,1-2H3;3-13H,1H3;2-13H,1H3;2-13H,1H3;2*2-12H,1H3/i;6*1D3
InChIKeyRIJUFOJMPFYJDJ-JCHQNBKRSA-N
MW2244.80 g/mol
LogP31.44
Rot. Bonds25

About N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline

N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline (PubChem CID 160634732) has the molecular formula C141H113FN24O2S and a molecular weight of 2244.80 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline
PubChem CID160634732
Molecular FormulaC141H113FN24O2S
Molecular Weight2244.80 g/mol
Exact Mass2243.03
IUPAC NameN-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCN(C)C)n3c2)ccc1F.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccc3ncc(C(C)=O)n3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccc3ncc([N+]#[C-])n3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccc3nccnc3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccn3cncc3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccn3nccc3n2)c1
InChIInChI=1S/C24H24FN5O.C21H17N3O.C20H14N4.C20H15N3.C19H15N3.C19H14N2S.C18H14N4/c1-16-13-17(6-8-20(16)25)23-19(5-4-10-26-23)18-7-9-22-28-14-21(30(22)15-18)24(31)27-11-12-29(2)3;1-14-5-3-6-16(11-14)21-18(7-4-10-22-21)17-8-9-20-23-12-19(15(2)25)24(20)13-17;1-14-5-3-6-15(11-14)20-17(7-4-10-22-20)16-8-9-18-23-12-19(21-2)24(18)13-16;1-14-4-2-5-16(12-14)20-17(6-3-9-23-20)15-7-8-18-19(13-15)22-11-10-21-18;1-14-4-2-5-16(10-14)19-18(6-3-8-21-19)15-7-9-22-13-20-12-17(22)11-15;1-13-4-2-5-15(10-13)19-16(6-3-9-20-19)14-7-8-17-18(11-14)22-12-21-17;1-13-4-2-5-14(12-13)18-15(6-3-9-19-18)16-8-11-22-17(21-16)7-10-20-22/h4-10,13-15H,11-12H2,1-3H3,(H,27,31);3-13H,1-2H3;3-13H,1H3;2-13H,1H3;2-13H,1H3;2*2-12H,1H3/i;6*1D3
InChIKeyRIJUFOJMPFYJDJ-JCHQNBKRSA-N
XLogP31.44
TPSA282.06 Ų
H-Bond Donors1
H-Bond Acceptors25
Rotatable Bonds25
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002244.80
LogP ≤ 531.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline with MolForge

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Related Compounds

3-[3-[1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[1-(1,3-benzothiazol-6-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;N-ethyl-2-fluoro-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;2-fluoro-N-methyl-4-[3-(1-quinolin-6-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-[4-fluoro-3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
CID 159522818
CID 160725837
CID 160725837
6-tert-butyl-1,3-benzothiazole;7-tert-butyl-1,4-dihydroquinoline-2,3-dione;6-tert-butyl-1-hydroxy-4-methylquinoxaline-2,3-dione;6-tert-butylimidazo[1,2-a]pyridine;7-tert-butylimidazo[1,2-a]pyridine;6-tert-butyl-3H-indole;5-tert-butyl-1-methylbenzimidazole;6-tert-butyl-1-methylbenzimidazole;5-tert-butyl-3-methylidene-1,2-dihydroindene;6-tert-butyl-2-methyl-3H-indole;6-tert-butyl-1H-naphthalen-2-one;7-tert-butyl-1H-quinolin-2-one;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;7-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine;N-(3,3-dimethylbutan-2-yl)acetamide;1-methoxy-3,3-dimethylbutane;2-methoxy-2,3,3-trimethylbutane;2,2,3,3-tetramethylbutane;(2R)-1,1,1-trifluoro-2,3,3-trimethylbutane
CID 161004970
2-(1,3-benzothiazol-4-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(2,1-benzothiazol-6-yl)-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-[2-(cyanomethyl)phenyl]-N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-2-(4-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[1,5-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-5-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-6-yl)imidazo[1,5-a]pyrimidine-8-carboxamide
CID 162225416
(2-amino-3-pyridinyl)-[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-benzothiazol-6-yl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(6-imidazol-1-yl-2-pyridinyl)methanone;[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(2-methylphenyl)methanone;(3-fluoroimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-[6-methyl-5-[(3S)-3-methylpyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 157107307
ethane;2-methylidene-5-propan-2-yl-1H-quinoline;4-propan-2-yl-1H-benzimidazole;4-propan-2-yl-1,3-benzothiazole;5-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzothiazole;7-propan-2-yl-1,3-benzothiazole;3-propan-2-yl-1-benzothiophene;5-propan-2-yl-1-benzothiophene;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;6-propan-2-ylimidazo[1,2-a]pyridine;4-propan-2-yl-1H-indazole;7-propan-2-yl-1H-indazole;7-propan-2-yl-1H-isoindole;5-propan-2-yl-2H-naphthalen-1-one;8-propan-2-yl-3H-quinazolin-4-one;5-propan-2-yl-1,2,3,4-tetrahydroisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydronaphthalene;3-propan-2-ylthieno[2,3-c]pyridine
CID 157276666
bis(N-(2-aminophenyl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide);N-(2-aminophenyl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;N-(4-amino-1-phenylpyrazol-3-yl)-4-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]benzamide;1-[3-[[5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone;1-[3-[[4-methyl-5-(2-methylimidazo[1,2-a]pyridin-3-yl)-1,3-thiazol-2-yl]amino]phenyl]-2-(2-methyl-3-pyridinyl)ethanone
CID 157276789
1-Methyl-4-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-c]pyridine;5-propan-2-yl-2-pyridin-2-ylpyrimidine;5-propan-2-yl-2-pyridin-3-ylpyrimidine;5-propan-2-yl-2-pyridin-4-ylpyrimidine;3-(5-propan-2-ylpyrimidin-2-yl)benzamide;2-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;3-(5-propan-2-ylpyrimidin-2-yl)benzonitrile;6-(5-propan-2-ylpyrimidin-2-yl)-1,3-benzothiazole;4-(5-propan-2-ylpyrimidin-2-yl)-1,3-dihydroindol-2-one;1-(5-propan-2-ylpyrimidin-2-yl)indazole;5-propan-2-yl-2-pyrimidin-5-ylpyrimidine;1-(5-propan-2-ylpyrimidin-2-yl)pyrrolo[2,3-b]pyridine
CID 157306332
2-cyclopropyl-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-methyl-1,3-thiazole-5-carboxamide;N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-5-propan-2-yl-1,3-thiazole-2-carboxamide;(3S)-2,2,5,5-tetradeuterio-N-[5-[(1R,5S)-1-(2,5-difluorophenyl)-2-azabicyclo[3.1.0]hexan-2-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methylpyrrolidine-1-carboxamide
CID 157373944
6-(1,3-dimethylpyrrolo[1,2-a]pyrazin-7-yl)-4-fluoro-N-methyl-N-piperidin-4-yl-1,3-benzothiazol-2-amine;6-[4-fluoro-2-[methyl(piperidin-4-yl)amino]-1,3-benzothiazol-6-yl]-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;6-(4-fluoro-2-piperidin-4-yl-1,3-benzothiazol-6-yl)-2-methylimidazo[1,2-b]pyridazine-8-carboxamide
CID 157466037
6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-1,3-benzothiazole;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-3-isocyanoimidazo[1,2-a]pyridine;5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
CID 157487129
3-Isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline
CID 157610864

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline?
The IUPAC name of N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline (CID 160634732) is N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)NCCN(C)C)n3c2)ccc1F.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccc3ncc(C(C)=O)n3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccc3ncc([N+]#[C-])n3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccc3nccnc3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccc3ncsc3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccn3cncc3c2)c1.[2H]C([2H])([2H])c1cccc(-c2ncccc2-c2ccn3nccc3n2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline?
The InChIKey is RIJUFOJMPFYJDJ-JCHQNBKRSA-N. The full InChI is InChI=1S/C24H24FN5O.C21H17N3O.C20H14N4.C20H15N3.C19H15N3.C19H14N2S.C18H14N4/c1-16-13-17(6-8-20(16)25)23-19(5-4-10-26-23)18-7-9-22-28-14-21(30(22)15-18)24(31)27-11-12-29(2)3;1-14-5-3-6-16(11-14)21-18(7-4-10-22-21)17-8-9-20-23-12-19(15(2)25)24(20)13-17;1-14-5-3-6-15(11-14)20-17(7-4-10-22-20)16-8-9-18-23-12-19(21-2)24(18)13-16;1-14-4-2-5-16(12-14)20-17(6-3-9-23-20)15-7-8-18-19(13-15)22-11-10-21-18;1-14-4-2-5-16(10-14)19-18(6-3-8-21-19)15-7-9-22-13-20-12-17(22)11-15;1-13-4-2-5-15(10-13)19-16(6-3-9-20-19)14-7-8-17-18(11-14)22-12-21-17;1-13-4-2-5-14(12-13)18-15(6-3-9-19-18)16-8-11-22-17(21-16)7-10-20-22/h4-10,13-15H,11-12H2,1-3H3,(H,27,31);3-13H,1-2H3;3-13H,1H3;2-13H,1H3;2-13H,1H3;2*2-12H,1H3/i;6*1D3.
What are the key properties of N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline?
N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline has a molecular weight of 2244.80 g/mol, XLogP of 31.44, 25 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxamide;3-isocyano-6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]-1,3-benzothiazole;7-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,5-a]pyridine;1-[6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridin-3-yl]ethanone;5-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;6-[2-[3-(trideuteriomethyl)phenyl]-3-pyridinyl]quinoxaline is sourced from PubChem (CID 160634732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).