6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide

C179H130F10N46O4 — CID 159075367

IUPAC6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)C(=O)c1cc(F)cc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.CN(C)c1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.Cn1cnc2ccc(Cc3nnc4ccc(-c5ccccc5)nn34)cc21.Fc1cc(F)cc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.Fc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F.N#Cc1cc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)ccc1F.O=C(NCC(F)(F)F)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.O=C(NCCO)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIInChI=1S/C24H17F3N6O.C24H19FN6O2.C24H19FN6O.C23H20N6.C22H13FN6.2C21H13F2N5.C20H16N6/c25-24(26,27)14-29-23(34)17-6-4-16(5-7-17)20-9-10-21-30-31-22(33(21)32-20)13-15-3-8-19-18(12-15)2-1-11-28-19;25-19-14-17(4-5-18(19)24(33)27-10-11-32)21-7-8-22-28-29-23(31(22)30-21)13-15-3-6-20-16(12-15)2-1-9-26-20;1-30(2)24(32)18-12-17(13-19(25)14-18)21-7-8-22-27-28-23(31(22)29-21)11-15-5-6-20-16(10-15)4-3-9-26-20;1-28(2)19-7-3-5-18(15-19)21-10-11-22-25-26-23(29(22)27-21)14-16-8-9-20-17(13-16)6-4-12-24-20;23-18-5-4-16(12-17(18)13-24)20-7-8-21-26-27-22(29(21)28-20)11-14-3-6-19-15(10-14)2-1-9-25-19;22-16-5-4-15(12-17(16)23)19-7-8-20-25-26-21(28(20)27-19)11-13-3-6-18-14(10-13)2-1-9-24-18;22-16-10-15(11-17(23)12-16)19-5-6-20-25-26-21(28(20)27-19)9-13-3-4-18-14(8-13)2-1-7-24-18;1-25-13-21-17-8-7-14(11-18(17)25)12-20-23-22-19-10-9-16(24-26(19)20)15-5-3-2-4-6-15/h1-12H,13-14H2,(H,29,34);1-9,12,14,32H,10-11,13H2,(H,27,33);3-10,12-14H,11H2,1-2H3;3-13,15H,14H2,1-2H3;1-10,12H,11H2;1-10,12H,11H2;1-8,10-12H,9H2;2-11,13H,12H2,1H3
InChIKeyKAEKKDNGEPJLIQ-UHFFFAOYSA-N
MW3179.31 g/mol
LogP30.41
Rot. Bonds31

About 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide

6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 159075367) has the molecular formula C179H130F10N46O4 and a molecular weight of 3179.31 g/mol. Its IUPAC name is 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID159075367
Molecular FormulaC179H130F10N46O4
Molecular Weight3179.31 g/mol
Exact Mass3177.12
IUPAC Name6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESCN(C)C(=O)c1cc(F)cc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.CN(C)c1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.Cn1cnc2ccc(Cc3nnc4ccc(-c5ccccc5)nn34)cc21.Fc1cc(F)cc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.Fc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F.N#Cc1cc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)ccc1F.O=C(NCC(F)(F)F)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.O=C(NCCO)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F
InChIInChI=1S/C24H17F3N6O.C24H19FN6O2.C24H19FN6O.C23H20N6.C22H13FN6.2C21H13F2N5.C20H16N6/c25-24(26,27)14-29-23(34)17-6-4-16(5-7-17)20-9-10-21-30-31-22(33(21)32-20)13-15-3-8-19-18(12-15)2-1-11-28-19;25-19-14-17(4-5-18(19)24(33)27-10-11-32)21-7-8-22-28-29-23(31(22)30-21)13-15-3-6-20-16(12-15)2-1-9-26-20;1-30(2)24(32)18-12-17(13-19(25)14-18)21-7-8-22-27-28-23(31(22)29-21)11-15-5-6-20-16(10-15)4-3-9-26-20;1-28(2)19-7-3-5-18(15-19)21-10-11-22-25-26-23(29(22)27-21)14-16-8-9-20-17(13-16)6-4-12-24-20;23-18-5-4-16(12-17(18)13-24)20-7-8-21-26-27-22(29(21)28-20)11-14-3-6-19-15(10-14)2-1-9-25-19;22-16-5-4-15(12-17(16)23)19-7-8-20-25-26-21(28(20)27-19)11-13-3-6-18-14(10-13)2-1-9-24-18;22-16-10-15(11-17(23)12-16)19-5-6-20-25-26-21(28(20)27-19)9-13-3-4-18-14(8-13)2-1-7-24-18;1-25-13-21-17-8-7-14(11-18(17)25)12-20-23-22-19-10-9-16(24-26(19)20)15-5-3-2-4-6-15/h1-12H,13-14H2,(H,29,34);1-9,12,14,32H,10-11,13H2,(H,27,33);3-10,12-14H,11H2,1-2H3;3-13,15H,14H2,1-2H3;1-10,12H,11H2;1-10,12H,11H2;1-8,10-12H,9H2;2-11,13H,12H2,1H3
InChIKeyKAEKKDNGEPJLIQ-UHFFFAOYSA-N
XLogP30.41
TPSA578.46 Ų
H-Bond Donors3
H-Bond Acceptors47
Rotatable Bonds31
Heavy Atoms239
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003179.31
LogP ≤ 530.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1047

Analyze 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide with MolForge

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Related Compounds

3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
2-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-4-[2-[5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-pyrrolo[2,3-c]pyridin-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-3-(methylcarbamoyl)-1H-indol-7-yl]propyl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N,5-dimethylpyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 138655261
3-[6-Fluoro-10-(3,3,4,4,5,5-hexafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione;3-[6-fluoro-10-(2,2,6,6-tetrafluoromorpholine-4-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione;3-[6-fluoro-10-(3,3,5,5-tetrafluoropiperidine-1-carbonyl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-3-yl]-4-imidazo[1,2-a]pyridin-3-ylpyrrole-2,5-dione;10-[4-(hydroxymethyl)piperidine-1-carbonyl]-3-(4-imidazo[1,2-a]pyridin-3-yl-2,5-dioxopyrrol-3-yl)-1,10-diazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene-6-carbonitrile;methane
CID 157144191
N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[(1-methylpiperidin-4-yl)methyl]-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157192480
5-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(3-cyclopropylphenyl)-3-pyridinyl]-1-methylbenzimidazole;[5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazol-7-yl]-morpholin-4-ylmethanone;6-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]imidazo[1,2-a]pyridine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-indazole;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]-1H-pyrazolo[3,4-b]pyridine
CID 157192628
5-[3-(4-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 157212945
5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 157274530
7-[(2-Chloroimidazol-1-yl)methyl]-4-(4-fluorophenyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-(imidazo[4,5-b]pyridin-3-ylmethyl)quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-methylimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[(2-pyridin-3-ylbenzimidazol-1-yl)methyl]quinoline-2-carboxamide;4-(4-fluorophenyl)-7-[[2-(2,2,2-trifluoroethyl)benzimidazol-1-yl]methyl]quinoline-2-carboxamide
CID 157319707
2-[[6-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-3-pyridinyl]methylamino]-5-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyridine-3-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-cyano-N-[(1S)-1-(4-methylphenyl)ethyl]pyrazine-2-carboxamide;3-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-6-(1,1-difluoroethyl)-N-(4-fluorophenyl)pyrazine-2-carboxamide;2-[[4-(3-amino-2H-pyrazolo[3,4-b]pyridin-5-yl)phenyl]methylamino]-N-(4-fluoro-3-methylphenyl)-5-(trifluoromethyl)pyridine-3-carboxamide;3-[[4-(4-amino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]methylamino]-6-cyano-N-(4-methylphenyl)pyrazine-2-carboxamide
CID 157447320
[3-(4-fluorophenyl)-1-methylpyrazol-5-yl]-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]methanone;2-methyl-3-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]indazole-6-carbonitrile;4-[4-[(5S)-5-methyl-3-[(2R)-1,1,1-trifluoro-2-hydroxypropan-2-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl]-2-pyridinyl]benzonitrile;hydrochloride
CID 157558355
5-[3-(3-cyano-2-pyridinyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-5-[3-(1-methylimidazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)benzamide;N-(4-methylphenyl)-5-(3-pyridazin-3-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide;N-(4-methylphenyl)-5-(3-quinolin-4-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 157565495
CID 157602215
CID 157602215

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide (CID 159075367) is 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide is CN(C)C(=O)c1cc(F)cc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.CN(C)c1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.Cn1cnc2ccc(Cc3nnc4ccc(-c5ccccc5)nn34)cc21.Fc1cc(F)cc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.Fc1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F.N#Cc1cc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)ccc1F.O=C(NCC(F)(F)F)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.O=C(NCCO)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F.
What is the InChIKey of 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is KAEKKDNGEPJLIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F3N6O.C24H19FN6O2.C24H19FN6O.C23H20N6.C22H13FN6.2C21H13F2N5.C20H16N6/c25-24(26,27)14-29-23(34)17-6-4-16(5-7-17)20-9-10-21-30-31-22(33(21)32-20)13-15-3-8-19-18(12-15)2-1-11-28-19;25-19-14-17(4-5-18(19)24(33)27-10-11-32)21-7-8-22-28-29-23(31(22)30-21)13-15-3-6-20-16(12-15)2-1-9-26-20;1-30(2)24(32)18-12-17(13-19(25)14-18)21-7-8-22-27-28-23(31(22)29-21)11-15-5-6-20-16(10-15)4-3-9-26-20;1-28(2)19-7-3-5-18(15-19)21-10-11-22-25-26-23(29(22)27-21)14-16-8-9-20-17(13-16)6-4-12-24-20;23-18-5-4-16(12-17(18)13-24)20-7-8-21-26-27-22(29(21)28-20)11-14-3-6-19-15(10-14)2-1-9-25-19;22-16-5-4-15(12-17(16)23)19-7-8-20-25-26-21(28(20)27-19)11-13-3-6-18-14(10-13)2-1-9-24-18;22-16-10-15(11-17(23)12-16)19-5-6-20-25-26-21(28(20)27-19)9-13-3-4-18-14(8-13)2-1-7-24-18;1-25-13-21-17-8-7-14(11-18(17)25)12-20-23-22-19-10-9-16(24-26(19)20)15-5-3-2-4-6-15/h1-12H,13-14H2,(H,29,34);1-9,12,14,32H,10-11,13H2,(H,27,33);3-10,12-14H,11H2,1-2H3;3-13,15H,14H2,1-2H3;1-10,12H,11H2;1-10,12H,11H2;1-8,10-12H,9H2;2-11,13H,12H2,1H3.
What are the key properties of 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide?
6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 3179.31 g/mol, XLogP of 30.41, 31 rotatable bonds, 3 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(3,4-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N,N-dimethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]aniline;3-fluoro-N,N-dimethyl-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-N-(2-hydroxyethyl)-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;2-fluoro-5-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;3-[(3-methylbenzimidazol-5-yl)methyl]-6-phenyl-[1,2,4]triazolo[4,3-b]pyridazine;4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 159075367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).