N-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline

C179H136F4N44O12S4 — CID 159870672

IUPACN-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
SMILESCCNS(=O)(=O)c1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.CS(=O)(=O)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.Fc1ccc(Oc2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.Fc1ccc(Oc2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F.NC(=O)c1ccc(F)c(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.O=S(=O)(NC1CC1)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.O=S(=O)(c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1)N1CCCC1.c1ccc(Oc2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1
InChIInChI=1S/C25H22N6O2S.C24H20N6O2S.C23H20N6O2S.C22H15FN6O.C22H17N5O2S.C21H13F2N5O.C21H14FN5O.C21H15N5O/c32-34(33,30-14-1-2-15-30)21-8-6-19(7-9-21)23-11-12-24-27-28-25(31(24)29-23)17-18-5-10-22-20(16-18)4-3-13-26-22;31-33(32,29-19-6-7-19)20-8-4-17(5-9-20)22-11-12-23-26-27-24(30(23)28-22)15-16-3-10-21-18(14-16)2-1-13-25-21;1-2-25-32(30,31)19-7-3-5-18(15-19)21-10-11-22-26-27-23(29(22)28-21)14-16-8-9-20-17(13-16)6-4-12-24-20;23-17-5-4-15(22(24)30)12-16(17)19-7-8-20-26-27-21(29(20)28-19)11-13-3-6-18-14(10-13)2-1-9-25-18;1-30(28,29)18-7-5-16(6-8-18)20-10-11-21-24-25-22(27(21)26-20)14-15-4-9-19-17(13-15)3-2-12-23-19;22-16-5-4-15(12-17(16)23)29-21-8-7-19-25-26-20(28(19)27-21)11-13-3-6-18-14(10-13)2-1-9-24-18;22-16-4-6-17(7-5-16)28-21-10-9-19-24-25-20(27(19)26-21)13-14-3-8-18-15(12-14)2-1-11-23-18;1-2-6-17(7-3-1)27-21-11-10-19-23-24-20(26(19)25-21)14-15-8-9-18-16(13-15)5-4-12-22-18/h3-13,16H,1-2,14-15,17H2;1-5,8-14,19,29H,6-7,15H2;3-13,15,25H,2,14H2,1H3;1-10,12H,11H2,(H2,24,30);2-13H,14H2,1H3;1-10,12H,11H2;1-12H,13H2;1-13H,14H2
InChIKeyNSHLPYDCXQTMLA-UHFFFAOYSA-N
MW3299.61 g/mol
LogP29.40
Rot. Bonds37

About N-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline

N-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline (PubChem CID 159870672) has the molecular formula C179H136F4N44O12S4 and a molecular weight of 3299.61 g/mol. Its IUPAC name is N-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline.

Molecular Properties

Compound NameN-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
PubChem CID159870672
Molecular FormulaC179H136F4N44O12S4
Molecular Weight3299.61 g/mol
Exact Mass3297.02
IUPAC NameN-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline
SMILESCCNS(=O)(=O)c1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.CS(=O)(=O)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.Fc1ccc(Oc2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.Fc1ccc(Oc2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F.NC(=O)c1ccc(F)c(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.O=S(=O)(NC1CC1)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.O=S(=O)(c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1)N1CCCC1.c1ccc(Oc2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1
InChIInChI=1S/C25H22N6O2S.C24H20N6O2S.C23H20N6O2S.C22H15FN6O.C22H17N5O2S.C21H13F2N5O.C21H14FN5O.C21H15N5O/c32-34(33,30-14-1-2-15-30)21-8-6-19(7-9-21)23-11-12-24-27-28-25(31(24)29-23)17-18-5-10-22-20(16-18)4-3-13-26-22;31-33(32,29-19-6-7-19)20-8-4-17(5-9-20)22-11-12-23-26-27-24(30(23)28-22)15-16-3-10-21-18(14-16)2-1-13-25-21;1-2-25-32(30,31)19-7-3-5-18(15-19)21-10-11-22-26-27-23(29(22)28-21)14-16-8-9-20-17(13-16)6-4-12-24-20;23-17-5-4-15(22(24)30)12-16(17)19-7-8-20-26-27-21(29(20)28-19)11-13-3-6-18-14(10-13)2-1-9-25-18;1-30(28,29)18-7-5-16(6-8-18)20-10-11-21-24-25-22(27(21)26-20)14-15-4-9-19-17(13-15)3-2-12-23-19;22-16-5-4-15(12-17(16)23)29-21-8-7-19-25-26-20(28(19)27-21)11-13-3-6-18-14(10-13)2-1-9-24-18;22-16-4-6-17(7-5-16)28-21-10-9-19-24-25-20(27(19)26-21)13-14-3-8-18-15(12-14)2-1-11-23-18;1-2-6-17(7-3-1)27-21-11-10-19-23-24-20(26(19)25-21)14-15-8-9-18-16(13-15)5-4-12-22-18/h3-13,16H,1-2,14-15,17H2;1-5,8-14,19,29H,6-7,15H2;3-13,15,25H,2,14H2,1H3;1-10,12H,11H2,(H2,24,30);2-13H,14H2,1H3;1-10,12H,11H2;1-12H,13H2;1-13H,14H2
InChIKeyNSHLPYDCXQTMLA-UHFFFAOYSA-N
XLogP29.40
TPSA682.40 Ų
H-Bond Donors3
H-Bond Acceptors52
Rotatable Bonds37
Heavy Atoms243
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003299.61
LogP ≤ 529.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1052

Analyze N-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline with MolForge

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Related Compounds

6-[difluoro-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-[6-(4-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[difluoro-[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-ethylbenzenesulfonamide;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;3-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzenesulfonamide;[4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine
CID 161375877
5-[6-Acetyl-7-amino-3-(1-phenylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,1-dioxo-1,2-benzothiazol-3-one;6-bromo-5-(4-methylsulfinylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-(6-pyridin-3-yl-3-pyridinyl)pyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-(4-methylsulfonylphenoxy)-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine
CID 157177324
N-ethyl-2-fluoro-4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[fluoro-[6-(3-fluoro-5-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[fluoro-[6-(3-isocyanophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[fluoro-[6-(3-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N,N-dimethylbenzenesulfonamide;4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylaniline;3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-methylbenzenesulfonamide;1-[3-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]ethanone
CID 161533029

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline?
The IUPAC name of N-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline (CID 159870672) is N-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline.
What is the SMILES notation for N-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline?
The canonical SMILES for N-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline is CCNS(=O)(=O)c1cccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.CS(=O)(=O)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.Fc1ccc(Oc2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.Fc1ccc(Oc2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F.NC(=O)c1ccc(F)c(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)c1.O=S(=O)(NC1CC1)c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.O=S(=O)(c1ccc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1)N1CCCC1.c1ccc(Oc2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1.
What is the InChIKey of N-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline?
The InChIKey is NSHLPYDCXQTMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O2S.C24H20N6O2S.C23H20N6O2S.C22H15FN6O.C22H17N5O2S.C21H13F2N5O.C21H14FN5O.C21H15N5O/c32-34(33,30-14-1-2-15-30)21-8-6-19(7-9-21)23-11-12-24-27-28-25(31(24)29-23)17-18-5-10-22-20(16-18)4-3-13-26-22;31-33(32,29-19-6-7-19)20-8-4-17(5-9-20)22-11-12-23-26-27-24(30(23)28-22)15-16-3-10-21-18(14-16)2-1-13-25-21;1-2-25-32(30,31)19-7-3-5-18(15-19)21-10-11-22-26-27-23(29(22)28-21)14-16-8-9-20-17(13-16)6-4-12-24-20;23-17-5-4-15(22(24)30)12-16(17)19-7-8-20-26-27-21(29(20)28-19)11-13-3-6-18-14(10-13)2-1-9-25-18;1-30(28,29)18-7-5-16(6-8-18)20-10-11-21-24-25-22(27(21)26-20)14-15-4-9-19-17(13-15)3-2-12-23-19;22-16-5-4-15(12-17(16)23)29-21-8-7-19-25-26-20(28(19)27-21)11-13-3-6-18-14(10-13)2-1-9-24-18;22-16-4-6-17(7-5-16)28-21-10-9-19-24-25-20(27(19)26-21)13-14-3-8-18-15(12-14)2-1-11-23-18;1-2-6-17(7-3-1)27-21-11-10-19-23-24-20(26(19)25-21)14-15-8-9-18-16(13-15)5-4-12-22-18/h3-13,16H,1-2,14-15,17H2;1-5,8-14,19,29H,6-7,15H2;3-13,15,25H,2,14H2,1H3;1-10,12H,11H2,(H2,24,30);2-13H,14H2,1H3;1-10,12H,11H2;1-12H,13H2;1-13H,14H2.
What are the key properties of N-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline?
N-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline has a molecular weight of 3299.61 g/mol, XLogP of 29.40, 37 rotatable bonds, 3 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(3,4-difluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;N-ethyl-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzenesulfonamide;6-[[6-(4-fluorophenoxy)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;4-fluoro-3-[3-(quinolin-6-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[[6-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(4-pyrrolidin-1-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline is sourced from PubChem (CID 159870672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).