4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol

C116H102N34O12 — CID 157284604

IUPAC4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol
SMILESCOc1ccc2c(COc3nnc4ccc(-c5ccc(N(C)C)nc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(N6CCOCC6)nc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)OCCO6)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cnn(C6CCNCC6)c5)nn34)ccnc2c1.Oc1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C25H23N7O3.C24H24N8O2.C24H19N5O4.C23H21N7O2.C20H15N7O/c1-33-18-3-4-19-21(14-18)26-9-8-22(19)35-16-25-29-28-24-7-5-20(30-32(24)25)17-2-6-23(27-15-17)31-10-12-34-13-11-31;1-33-18-2-3-19-21(12-18)26-11-8-22(19)34-15-24-29-28-23-5-4-20(30-32(23)24)16-13-27-31(14-16)17-6-9-25-10-7-17;1-30-16-3-4-17-19(13-16)25-9-8-20(17)33-14-24-27-26-23-7-5-18(28-29(23)24)15-2-6-21-22(12-15)32-11-10-31-21;1-29(2)21-8-4-15(13-25-21)19-7-9-22-26-27-23(30(22)28-19)32-14-16-10-11-24-20-12-17(31-3)5-6-18(16)20;28-14-10-17-20(23-11-14)16(8-9-21-17)22-12-19-25-24-18-7-6-15(26-27(18)19)13-4-2-1-3-5-13/h2-9,14-15H,10-13,16H2,1H3;2-5,8,11-14,17,25H,6-7,9-10,15H2,1H3;2-9,12-13H,10-11,14H2,1H3;4-13H,14H2,1-3H3;1-11,28H,12H2,(H,21,22)
InChIKeyBABPCSGXGFGBJG-UHFFFAOYSA-N
MW2164.32 g/mol
LogP16.35
Rot. Bonds27

About 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol

4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol (PubChem CID 157284604) has the molecular formula C116H102N34O12 and a molecular weight of 2164.32 g/mol. Its IUPAC name is 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol.

Molecular Properties

Compound Name4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol
PubChem CID157284604
Molecular FormulaC116H102N34O12
Molecular Weight2164.32 g/mol
Exact Mass2162.84
IUPAC Name4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol
SMILESCOc1ccc2c(COc3nnc4ccc(-c5ccc(N(C)C)nc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(N6CCOCC6)nc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)OCCO6)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cnn(C6CCNCC6)c5)nn34)ccnc2c1.Oc1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1
InChIInChI=1S/C25H23N7O3.C24H24N8O2.C24H19N5O4.C23H21N7O2.C20H15N7O/c1-33-18-3-4-19-21(14-18)26-9-8-22(19)35-16-25-29-28-24-7-5-20(30-32(24)25)17-2-6-23(27-15-17)31-10-12-34-13-11-31;1-33-18-2-3-19-21(12-18)26-11-8-22(19)34-15-24-29-28-23-5-4-20(30-32(23)24)16-13-27-31(14-16)17-6-9-25-10-7-17;1-30-16-3-4-17-19(13-16)25-9-8-20(17)33-14-24-27-26-23-7-5-18(28-29(23)24)15-2-6-21-22(12-15)32-11-10-31-21;1-29(2)21-8-4-15(13-25-21)19-7-9-22-26-27-23(30(22)28-19)32-14-16-10-11-24-20-12-17(31-3)5-6-18(16)20;28-14-10-17-20(23-11-14)16(8-9-21-17)22-12-19-25-24-18-7-6-15(26-27(18)19)13-4-2-1-3-5-13/h2-9,14-15H,10-13,16H2,1H3;2-5,8,11-14,17,25H,6-7,9-10,15H2,1H3;2-9,12-13H,10-11,14H2,1H3;4-13H,14H2,1-3H3;1-11,28H,12H2,(H,21,22)
InChIKeyBABPCSGXGFGBJG-UHFFFAOYSA-N
XLogP16.35
TPSA488.64 Ų
H-Bond Donors3
H-Bond Acceptors46
Rotatable Bonds27
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002164.32
LogP ≤ 516.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1046

Analyze 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[4-amino-1-[2-[4-[[2-[4-amino-1-[1-[[2-[4-amino-1-[1-[[2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-6-fluoro-1H-indol-5-yl]oxy]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-4-fluoro-1H-indol-5-yl]oxy]propan-2-yl]pyrazolo[4,3-c]pyridin-3-yl]-1H-indol-5-yl]oxy]-2-methylimidazol-1-yl]ethyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-indol-5-ol
CID 123808231
7-(2,2-difluoroethoxy)-8-[6-(3,5-difluorophenyl)-3-[[[7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-yl]amino]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-8-yl]-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 143835060
N-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;7-methoxy-4-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 157325818
4-tert-butyl-1,3-benzodioxole;3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;3-tert-butyl-2-methyl-3a,4,5,6-tetrahydrocyclopenta[b]pyrrole;6-tert-butyl-1-methyl-2,4-dihydropyrido[2,3-d][1,3]oxazine;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-5,7-dihydropyrazolo[5,1-b][1,3]oxazine;octakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 157623029
5-[[(1S,5R)-8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[[(2R)-4,4-difluoro-1-methylpiperidin-2-yl]methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 158086250
5-[[8-(2,2-difluoroethyl)-8-azabicyclo[3.2.1]octan-3-yl]oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(4,4-difluoro-1-methylpiperidin-2-yl)methoxy]-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(4,4-difluoro-1-methylpiperidin-3-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-6-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CID 158086251
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-[(4R)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-(1-methylbenzotriazol-5-yl)oxyphenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,7-diamine
CID 158101638
4-tert-butyl-1,3-benzodioxole;3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;6-tert-butyl-3,4-dihydro-2H-pyrano[2,3-c]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine;3,4-dihydro-2H-chromene;2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;octakis(2,2-dimethylpropane);ethane;methane;2-methyl-3,4-dihydro-1H-isoquinoline;5,6,7,8-tetrahydroquinoline
CID 158456173
4-tert-butyl-1,3-benzodioxole;3-tert-butyl-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazine;3-tert-butyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine;8-tert-butyl-3,4-dihydro-2H-pyrano[3,2-b]pyridine;3-tert-butyl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole;7-tert-butyl-4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine;3-tert-butyl-2-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole;3-tert-butyl-5,6,7,8-tetrahydroisoquinoline;3,4-dihydro-2H-chromene;3,4-dihydro-1H-isochromene;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,8-dihydro-5H-pyrano[3,4-b]pyridine;6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine;6,6-dimethyl-4,7-dihydropyrazolo[5,1-c][1,4]oxazine;octakis(2,2-dimethylpropane);ethane;2-methyl-3,4-dihydro-1H-isoquinoline;3-propan-2-yl-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 158830231
N-[[6-[3-chloro-4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-methoxy-1,5-naphthyridin-4-amine;methane;7-methoxy-4-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;4-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-methylbut-3-yn-2-ol;7-methoxy-N-[[6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;7-methoxy-N-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine
CID 159487697
5-(5,5-difluoro-1-methylazepan-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-6-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[4-[(6-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)oxy]-3-methylphenyl]-7-methoxyquinazolin-4-amine;5-[3,3-difluoro-1-(trideuteriomethyl)piperidin-4-yl]oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]-5-[1-(trideuteriomethyl)-2-(trifluoromethyl)piperidin-4-yl]oxyquinazolin-4-amine
CID 159529857
5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)-7-methoxyquinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyphenyl]quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-N-(3-methyl-4-pyrazolo[1,5-a]pyridin-6-yloxyphenyl)quinazolin-4-amine;5-(3,3-difluoro-1-methylpiperidin-4-yl)oxy-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,7-diamine;5-(1-ethyl-3,3-difluoropiperidin-4-yl)oxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine;5-(3-fluoro-1-methylpiperidin-4-yl)oxy-N-(4-imidazo[1,2-a]pyridin-7-yloxy-3-methylphenyl)quinazolin-4-amine
CID 159940010

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol?
The IUPAC name of 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol (CID 157284604) is 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol.
What is the SMILES notation for 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol?
The canonical SMILES for 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol is COc1ccc2c(COc3nnc4ccc(-c5ccc(N(C)C)nc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc(N6CCOCC6)nc5)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)OCCO6)nn34)ccnc2c1.COc1ccc2c(OCc3nnc4ccc(-c5cnn(C6CCNCC6)c5)nn34)ccnc2c1.Oc1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1.
What is the InChIKey of 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol?
The InChIKey is BABPCSGXGFGBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O3.C24H24N8O2.C24H19N5O4.C23H21N7O2.C20H15N7O/c1-33-18-3-4-19-21(14-18)26-9-8-22(19)35-16-25-29-28-24-7-5-20(30-32(24)25)17-2-6-23(27-15-17)31-10-12-34-13-11-31;1-33-18-2-3-19-21(12-18)26-11-8-22(19)34-15-24-29-28-23-5-4-20(30-32(23)24)16-13-27-31(14-16)17-6-9-25-10-7-17;1-30-16-3-4-17-19(13-16)25-9-8-20(17)33-14-24-27-26-23-7-5-18(28-29(23)24)15-2-6-21-22(12-15)32-11-10-31-21;1-29(2)21-8-4-15(13-25-21)19-7-9-22-26-27-23(30(22)28-19)32-14-16-10-11-24-20-12-17(31-3)5-6-18(16)20;28-14-10-17-20(23-11-14)16(8-9-21-17)22-12-19-25-24-18-7-6-15(26-27(18)19)13-4-2-1-3-5-13/h2-9,14-15H,10-13,16H2,1H3;2-5,8,11-14,17,25H,6-7,9-10,15H2,1H3;2-9,12-13H,10-11,14H2,1H3;4-13H,14H2,1-3H3;1-11,28H,12H2,(H,21,22).
What are the key properties of 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol?
4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol has a molecular weight of 2164.32 g/mol, XLogP of 16.35, 27 rotatable bonds, 3 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]-7-methoxyquinoline;7-methoxy-4-[[6-(1-piperidin-4-ylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methoxy]quinoline;5-[3-[(7-methoxyquinolin-4-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylpyridin-2-amine;4-[5-[3-[(7-methoxyquinolin-4-yl)oxymethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-pyridinyl]morpholine;8-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methylamino]-1,5-naphthyridin-3-ol is sourced from PubChem (CID 157284604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).