N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid

C168H150FN59O2 — CID 158878563

IUPACN,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESCCCn1cc(-c2cnc3ccc(Cc4nnc5ccc(C)nn45)cc3c2)cn1.CCc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.CCn1cc(-c2cnc3ccc(Cc4nnc5ccc(C)nn45)cc3c2)cn1.CN(C)c1ccc2nnc(Cc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.CNc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3cc4cc(-c5cnn(C)c5)cnc4cc3F)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C6(C(=O)O)CCC6)c5)cc4c3)n2n1.Cn1cc(-c2cnc3ccc(Cc4nnc5ccc(N)nn45)cc3c2)cn1
InChIInChI=1S/C24H21N7O2.C22H21N7.C21H20N8.2C21H19N7.C20H16FN7.C20H18N8.C19H16N8/c1-15-3-6-21-27-28-22(31(21)29-15)10-16-4-5-20-17(9-16)11-18(12-25-20)19-13-26-30(14-19)24(23(32)33)7-2-8-24;1-3-8-28-14-19(13-24-28)18-11-17-9-16(5-6-20(17)23-12-18)10-22-26-25-21-7-4-15(2)27-29(21)22;1-27(2)20-7-6-19-24-25-21(29(19)26-20)9-14-4-5-18-15(8-14)10-16(11-22-18)17-12-23-28(3)13-17;1-3-27-13-18(12-23-27)17-10-16-8-15(5-6-19(16)22-11-17)9-21-25-24-20-7-4-14(2)26-28(20)21;1-3-18-5-7-20-24-25-21(28(20)26-18)9-14-4-6-19-15(8-14)10-16(11-22-19)17-12-23-27(2)13-17;1-12-3-4-19-24-25-20(28(19)26-12)7-13-5-14-6-15(16-10-23-27(2)11-16)9-22-18(14)8-17(13)21;1-21-18-5-6-19-24-25-20(28(19)26-18)8-13-3-4-17-14(7-13)9-15(10-22-17)16-11-23-27(2)12-16;1-26-11-15(10-22-26)14-8-13-6-12(2-3-16(13)21-9-14)7-19-24-23-18-5-4-17(20)25-27(18)19/h3-6,9,11-14H,2,7-8,10H2,1H3,(H,32,33);4-7,9,11-14H,3,8,10H2,1-2H3;4-8,10-13H,9H2,1-3H3;2*4-8,10-13H,3,9H2,1-2H3;3-6,8-11H,7H2,1-2H3;3-7,9-12H,8H2,1-2H3,(H,21,26);2-6,8-11H,7H2,1H3,(H2,20,25)
InChIKeyJCTCVXXZQOLAIM-UHFFFAOYSA-N
MW3046.46 g/mol
LogP24.72
Rot. Bonds32

About N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid

N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid (PubChem CID 158878563) has the molecular formula C168H150FN59O2 and a molecular weight of 3046.46 g/mol. Its IUPAC name is N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound NameN,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid
PubChem CID158878563
Molecular FormulaC168H150FN59O2
Molecular Weight3046.46 g/mol
Exact Mass3044.34
IUPAC NameN,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid
SMILESCCCn1cc(-c2cnc3ccc(Cc4nnc5ccc(C)nn45)cc3c2)cn1.CCc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.CCn1cc(-c2cnc3ccc(Cc4nnc5ccc(C)nn45)cc3c2)cn1.CN(C)c1ccc2nnc(Cc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.CNc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3cc4cc(-c5cnn(C)c5)cnc4cc3F)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C6(C(=O)O)CCC6)c5)cc4c3)n2n1.Cn1cc(-c2cnc3ccc(Cc4nnc5ccc(N)nn45)cc3c2)cn1
InChIInChI=1S/C24H21N7O2.C22H21N7.C21H20N8.2C21H19N7.C20H16FN7.C20H18N8.C19H16N8/c1-15-3-6-21-27-28-22(31(21)29-15)10-16-4-5-20-17(9-16)11-18(12-25-20)19-13-26-30(14-19)24(23(32)33)7-2-8-24;1-3-8-28-14-19(13-24-28)18-11-17-9-16(5-6-20(17)23-12-18)10-22-26-25-21-7-4-15(2)27-29(21)22;1-27(2)20-7-6-19-24-25-21(29(19)26-20)9-14-4-5-18-15(8-14)10-16(11-22-18)17-12-23-28(3)13-17;1-3-27-13-18(12-23-27)17-10-16-8-15(5-6-19(16)22-11-17)9-21-25-24-20-7-4-14(2)26-28(20)21;1-3-18-5-7-20-24-25-21(28(20)26-18)9-14-4-6-19-15(8-14)10-16(11-22-19)17-12-23-27(2)13-17;1-12-3-4-19-24-25-20(28(19)26-12)7-13-5-14-6-15(16-10-23-27(2)11-16)9-22-18(14)8-17(13)21;1-21-18-5-6-19-24-25-20(28(19)26-18)8-13-3-4-17-14(7-13)9-15(10-22-17)16-11-23-27(2)12-16;1-26-11-15(10-22-26)14-8-13-6-12(2-3-16(13)21-9-14)7-19-24-23-18-5-4-17(20)25-27(18)19/h3-6,9,11-14H,2,7-8,10H2,1H3,(H,32,33);4-7,9,11-14H,3,8,10H2,1-2H3;4-8,10-13H,9H2,1-3H3;2*4-8,10-13H,3,9H2,1-2H3;3-6,8-11H,7H2,1-2H3;3-7,9-12H,8H2,1-2H3,(H,21,26);2-6,8-11H,7H2,1H3,(H2,20,25)
InChIKeyJCTCVXXZQOLAIM-UHFFFAOYSA-N
XLogP24.72
TPSA668.91 Ų
H-Bond Donors3
H-Bond Acceptors60
Rotatable Bonds32
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003046.46
LogP ≤ 524.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1060

Analyze N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid with MolForge

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Related Compounds

3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-N-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[difluoro-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-ethylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[difluoro-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-5,7-difluoro-3-(1-methylpyrazol-4-yl)quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)-difluoromethyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline
CID 160567802
1-[4-[6-[(6-Methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid
CID 59320302
(5R)-5,8-dimethyl-N-[1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;(5R)-5,8-dimethyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-3-yl]-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine;1-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]-2-methylpropan-2-ol;[(2S)-pyrrolidin-2-yl]methyl 2-[4-[2-[3-[[(5R)-5,8-dimethyl-9-phenyl-5,6-dihydropyrazolo[3,4-h]quinazolin-2-yl]amino]pyrazol-1-yl]ethyl]piperazin-1-yl]propanoate
CID 157143117
7-fluoro-6-methyl-4-[6-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;3-(7-fluoro-6-methylquinolin-4-yl)-6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-2-amine;3-(3-methylphenyl)-6-piperazin-1-ylpyrazolo[1,5-a]pyrimidine;3-(3-methylphenyl)-6-(4-piperidin-4-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine
CID 157340187
8-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-(6-phenyl-3-pyridinyl)-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-methylquinolin-3-yl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;8-morpholin-4-yl-5-quinolin-3-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one;5-(6-phenyl-3-pyridinyl)-8-piperidin-1-yl-2,3,7,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-10-one
CID 157383023
1-[3-(7-Fluoro-6-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;6-methyl-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;1-[3-(2-methylquinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl]piperidin-4-amine;1-[4-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 157441105
3-[3-(dimethylamino)phenyl]-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-phenyl-N-(pyridin-2-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;N-(pyridin-2-ylmethyl)-3-quinolin-8-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157656054
2-[4-[7-amino-6-bromo-3-(2-bromo-1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]acetic acid;2-[4-[7-amino-6-bromo-3-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-1-yl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)cyclohexyl]acetic acid;2-[4-(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]acetic acid;6-bromo-5-[4-(1H-pyrazol-4-yl)cyclohexen-1-yl]-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157707618
tert-butyl (1S,4S)-5-[4-(3-quinolin-4-ylpyrazolo[1,5-a]pyrimidin-6-yl)phenyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate;4-[6-[4-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 157831139
1-(7-Amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylic acid;methyl 1-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-3-carboxylate
CID 157918184
5,7-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;N,3-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N,5-dimethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-N-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;N-ethyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;7-(1-fluoroethyl)-5-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;methane;7-methyl-3-propan-2-ylpyrazolo[1,5-a]pyrimidine;5-methyl-3-propan-2-yl-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine;2-piperidin-1-yl-4-propan-2-ylpyridine;1-propan-2-ylnaphthalene;8-propan-2-ylquinoline
CID 158042328
1-[4-[[7-amino-6-bromo-3-[6-(4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;4-[[7-amino-6-bromo-3-(6-methylquinolin-3-yl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]-N,N-dimethylpiperidine-1-carboxamide;1-[4-[[7-amino-6-bromo-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-5-yl]methylamino]piperidin-1-yl]ethanone;1-[4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidin-1-yl]-2-methylpropan-1-one;methyl 4-[(7-amino-6-bromo-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)methylamino]piperidine-1-carboxylate
CID 158144359

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid?
The IUPAC name of N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid (CID 158878563) is N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid?
The canonical SMILES for N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid is CCCn1cc(-c2cnc3ccc(Cc4nnc5ccc(C)nn45)cc3c2)cn1.CCc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.CCn1cc(-c2cnc3ccc(Cc4nnc5ccc(C)nn45)cc3c2)cn1.CN(C)c1ccc2nnc(Cc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.CNc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C)c5)cc4c3)n2n1.Cc1ccc2nnc(Cc3cc4cc(-c5cnn(C)c5)cnc4cc3F)n2n1.Cc1ccc2nnc(Cc3ccc4ncc(-c5cnn(C6(C(=O)O)CCC6)c5)cc4c3)n2n1.Cn1cc(-c2cnc3ccc(Cc4nnc5ccc(N)nn45)cc3c2)cn1.
What is the InChIKey of N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid?
The InChIKey is JCTCVXXZQOLAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2.C22H21N7.C21H20N8.2C21H19N7.C20H16FN7.C20H18N8.C19H16N8/c1-15-3-6-21-27-28-22(31(21)29-15)10-16-4-5-20-17(9-16)11-18(12-25-20)19-13-26-30(14-19)24(23(32)33)7-2-8-24;1-3-8-28-14-19(13-24-28)18-11-17-9-16(5-6-20(17)23-12-18)10-22-26-25-21-7-4-15(2)27-29(21)22;1-27(2)20-7-6-19-24-25-21(29(19)26-20)9-14-4-5-18-15(8-14)10-16(11-22-18)17-12-23-28(3)13-17;1-3-27-13-18(12-23-27)17-10-16-8-15(5-6-19(16)22-11-17)9-21-25-24-20-7-4-14(2)26-28(20)21;1-3-18-5-7-20-24-25-21(28(20)26-18)9-14-4-6-19-15(8-14)10-16(11-22-19)17-12-23-27(2)13-17;1-12-3-4-19-24-25-20(28(19)26-12)7-13-5-14-6-15(16-10-23-27(2)11-16)9-22-18(14)8-17(13)21;1-21-18-5-6-19-24-25-20(28(19)26-18)8-13-3-4-17-14(7-13)9-15(10-22-17)16-11-23-27(2)12-16;1-26-11-15(10-22-26)14-8-13-6-12(2-3-16(13)21-9-14)7-19-24-23-18-5-4-17(20)25-27(18)19/h3-6,9,11-14H,2,7-8,10H2,1H3,(H,32,33);4-7,9,11-14H,3,8,10H2,1-2H3;4-8,10-13H,9H2,1-3H3;2*4-8,10-13H,3,9H2,1-2H3;3-6,8-11H,7H2,1-2H3;3-7,9-12H,8H2,1-2H3,(H,21,26);2-6,8-11H,7H2,1H3,(H2,20,25).
What are the key properties of N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid?
N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid has a molecular weight of 3046.46 g/mol, XLogP of 24.72, 32 rotatable bonds, 3 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-(1-ethylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[(6-ethyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-methylpyrazol-4-yl)quinoline;7-fluoro-3-(1-methylpyrazol-4-yl)-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;N-methyl-3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine;6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]-3-(1-propylpyrazol-4-yl)quinoline;1-[4-[6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinolin-3-yl]pyrazol-1-yl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 158878563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).