6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline

C166H127ClF7N47O2S2 — CID 158902324

IUPAC6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
SMILESCC(c1ccc2ncsc2c1)c1nnc2ccc(-c3cccc(F)c3)nn12.CC(c1ccc2ncsc2c1)c1nnc2ccc(Cl)nn12.CN1CCN(c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)CC1.CNC(=O)c1ccc(-c2ccc3nnc(Cc4c(F)cc5ncccc5c4F)n3n2)cc1F.CNC(=O)c1ccc(-c2ccc3nnc(Cc4cc5cccnc5cc4C)n3n2)cc1F.Cc1cc2ncccc2cc1Cc1nnc2ccc(-c3cccc(C#N)c3)nn12.N#Cc1cccc(-c2ccc3nnc(Cc4c(F)cc5ncccc5c4F)n3n2)c1.c1cnc2ccc(Cc3nnc4ccc(N5CCCCC5)nn34)cc2c1
InChIInChI=1S/C24H19FN6O.C23H15F3N6O.C23H16N6.C22H12F2N6.C20H14FN5S.C20H21N7.C20H20N6.C14H10ClN5S/c1-14-10-21-15(4-3-9-27-21)11-17(14)13-23-29-28-22-8-7-20(30-31(22)23)16-5-6-18(19(25)12-16)24(32)26-2;1-27-23(33)13-5-4-12(9-16(13)24)18-6-7-20-29-30-21(32(20)31-18)10-15-17(25)11-19-14(22(15)26)3-2-8-28-19;1-15-10-21-18(6-3-9-25-21)12-19(15)13-23-27-26-22-8-7-20(28-29(22)23)17-5-2-4-16(11-17)14-24;23-17-11-19-15(5-2-8-26-19)22(24)16(17)10-21-28-27-20-7-6-18(29-30(20)21)14-4-1-3-13(9-14)12-25;1-12(13-5-6-17-18(10-13)27-11-22-17)20-24-23-19-8-7-16(25-26(19)20)14-3-2-4-15(21)9-14;1-25-9-11-26(12-10-25)19-7-6-18-22-23-20(27(18)24-19)14-15-4-5-17-16(13-15)3-2-8-21-17;1-2-11-25(12-3-1)19-9-8-18-22-23-20(26(18)24-19)14-15-6-7-17-16(13-15)5-4-10-21-17;1-8(9-2-3-10-11(6-9)21-7-16-10)14-18-17-13-5-4-12(15)19-20(13)14/h3-12H,13H2,1-2H3,(H,26,32);2-9,11H,10H2,1H3,(H,27,33);2-12H,13H2,1H3;1-9,11H,10H2;2-12H,1H3;2-8,13H,9-12,14H2,1H3;4-10,13H,1-3,11-12,14H2;2-8H,1H3
InChIKeyJFPIKWAYQYCBAW-UHFFFAOYSA-N
MW3044.74 g/mol
LogP29.14
Rot. Bonds25

About 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline

6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline (PubChem CID 158902324) has the molecular formula C166H127ClF7N47O2S2 and a molecular weight of 3044.74 g/mol. Its IUPAC name is 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline.

Molecular Properties

Compound Name6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
PubChem CID158902324
Molecular FormulaC166H127ClF7N47O2S2
Molecular Weight3044.74 g/mol
Exact Mass3042.03
IUPAC Name6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline
SMILESCC(c1ccc2ncsc2c1)c1nnc2ccc(-c3cccc(F)c3)nn12.CC(c1ccc2ncsc2c1)c1nnc2ccc(Cl)nn12.CN1CCN(c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)CC1.CNC(=O)c1ccc(-c2ccc3nnc(Cc4c(F)cc5ncccc5c4F)n3n2)cc1F.CNC(=O)c1ccc(-c2ccc3nnc(Cc4cc5cccnc5cc4C)n3n2)cc1F.Cc1cc2ncccc2cc1Cc1nnc2ccc(-c3cccc(C#N)c3)nn12.N#Cc1cccc(-c2ccc3nnc(Cc4c(F)cc5ncccc5c4F)n3n2)c1.c1cnc2ccc(Cc3nnc4ccc(N5CCCCC5)nn34)cc2c1
InChIInChI=1S/C24H19FN6O.C23H15F3N6O.C23H16N6.C22H12F2N6.C20H14FN5S.C20H21N7.C20H20N6.C14H10ClN5S/c1-14-10-21-15(4-3-9-27-21)11-17(14)13-23-29-28-22-8-7-20(30-31(22)23)16-5-6-18(19(25)12-16)24(32)26-2;1-27-23(33)13-5-4-12(9-16(13)24)18-6-7-20-29-30-21(32(20)31-18)10-15-17(25)11-19-14(22(15)26)3-2-8-28-19;1-15-10-21-18(6-3-9-25-21)12-19(15)13-23-27-26-22-8-7-20(28-29(22)23)17-5-2-4-16(11-17)14-24;23-17-11-19-15(5-2-8-26-19)22(24)16(17)10-21-28-27-20-7-6-18(29-30(20)21)14-4-1-3-13(9-14)12-25;1-12(13-5-6-17-18(10-13)27-11-22-17)20-24-23-19-8-7-16(25-26(19)20)14-3-2-4-15(21)9-14;1-25-9-11-26(12-10-25)19-7-6-18-22-23-20(27(18)24-19)14-15-4-5-17-16(13-15)3-2-8-21-17;1-2-11-25(12-3-1)19-9-8-18-22-23-20(26(18)24-19)14-15-6-7-17-16(13-15)5-4-10-21-17;1-8(9-2-3-10-11(6-9)21-7-16-10)14-18-17-13-5-4-12(15)19-20(13)14/h3-12H,13H2,1-2H3,(H,26,32);2-9,11H,10H2,1H3,(H,27,33);2-12H,13H2,1H3;1-9,11H,10H2;2-12H,1H3;2-8,13H,9-12,14H2,1H3;4-10,13H,1-3,11-12,14H2;2-8H,1H3
InChIKeyJFPIKWAYQYCBAW-UHFFFAOYSA-N
XLogP29.14
TPSA563.26 Ų
H-Bond Donors2
H-Bond Acceptors49
Rotatable Bonds25
Heavy Atoms225
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003044.74
LogP ≤ 529.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1049

Analyze 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
The IUPAC name of 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline (CID 158902324) is 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline.
What is the SMILES notation for 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
The canonical SMILES for 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline is CC(c1ccc2ncsc2c1)c1nnc2ccc(-c3cccc(F)c3)nn12.CC(c1ccc2ncsc2c1)c1nnc2ccc(Cl)nn12.CN1CCN(c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)CC1.CNC(=O)c1ccc(-c2ccc3nnc(Cc4c(F)cc5ncccc5c4F)n3n2)cc1F.CNC(=O)c1ccc(-c2ccc3nnc(Cc4cc5cccnc5cc4C)n3n2)cc1F.Cc1cc2ncccc2cc1Cc1nnc2ccc(-c3cccc(C#N)c3)nn12.N#Cc1cccc(-c2ccc3nnc(Cc4c(F)cc5ncccc5c4F)n3n2)c1.c1cnc2ccc(Cc3nnc4ccc(N5CCCCC5)nn34)cc2c1.
What is the InChIKey of 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
The InChIKey is JFPIKWAYQYCBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O.C23H15F3N6O.C23H16N6.C22H12F2N6.C20H14FN5S.C20H21N7.C20H20N6.C14H10ClN5S/c1-14-10-21-15(4-3-9-27-21)11-17(14)13-23-29-28-22-8-7-20(30-31(22)23)16-5-6-18(19(25)12-16)24(32)26-2;1-27-23(33)13-5-4-12(9-16(13)24)18-6-7-20-29-30-21(32(20)31-18)10-15-17(25)11-19-14(22(15)26)3-2-8-28-19;1-15-10-21-18(6-3-9-25-21)12-19(15)13-23-27-26-22-8-7-20(28-29(22)23)17-5-2-4-16(11-17)14-24;23-17-11-19-15(5-2-8-26-19)22(24)16(17)10-21-28-27-20-7-6-18(29-30(20)21)14-4-1-3-13(9-14)12-25;1-12(13-5-6-17-18(10-13)27-11-22-17)20-24-23-19-8-7-16(25-26(19)20)14-3-2-4-15(21)9-14;1-25-9-11-26(12-10-25)19-7-6-18-22-23-20(27(18)24-19)14-15-4-5-17-16(13-15)3-2-8-21-17;1-2-11-25(12-3-1)19-9-8-18-22-23-20(26(18)24-19)14-15-6-7-17-16(13-15)5-4-10-21-17;1-8(9-2-3-10-11(6-9)21-7-16-10)14-18-17-13-5-4-12(15)19-20(13)14/h3-12H,13H2,1-2H3,(H,26,32);2-9,11H,10H2,1H3,(H,27,33);2-12H,13H2,1H3;1-9,11H,10H2;2-12H,1H3;2-8,13H,9-12,14H2,1H3;4-10,13H,1-3,11-12,14H2;2-8H,1H3.
What are the key properties of 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline?
6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline has a molecular weight of 3044.74 g/mol, XLogP of 29.14, 25 rotatable bonds, 2 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]-1,3-benzothiazole;3-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;4-[3-[(5,7-difluoroquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-fluoro-N-methylbenzamide;2-fluoro-N-methyl-4-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzamide;6-[1-[6-(3-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]-1,3-benzothiazole;6-[[6-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;3-[3-[(7-methylquinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]benzonitrile;6-[(6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline is sourced from PubChem (CID 158902324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).