6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline

C168H118ClF6N35S — CID 158227037

About 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline

6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline (PubChem CID 158227037) has the molecular formula C168H118ClF6N35S and a molecular weight of 2808.54 g/mol. Its IUPAC name is 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline.

Molecular Properties

• Compound Name: 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline
• PubChem CID: 158227037
• Molecular Formula: C168H118ClF6N35S
• Molecular Weight: 2808.54 g/mol
• Exact Mass: 2805.96
• IUPAC Name: 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline
• SMILES: C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.C[C@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.Cc1csc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)c1.Clc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.Fc1cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cc(F)c1F.Fc1cc(F)cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)c1.Fc1ccc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1.c1ccc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1
• InChI: InChI=1S/C22H13F3N4.C22H14F2N4.C22H15FN4.2C22H17N5.C22H16N4.C21H16N4S.C15H10ClN5/c23-17-10-15(11-18(24)22(17)25)20-5-6-21-27-12-16(29(21)28-20)9-13-3-4-19-14(8-13)2-1-7-26-19;23-17-10-16(11-18(24)12-17)21-5-6-22-26-13-19(28(22)27-21)9-14-3-4-20-15(8-14)2-1-7-25-20;23-18-6-4-16(5-7-18)21-9-10-22-25-14-19(27(22)26-21)13-15-3-8-20-17(12-15)2-1-11-24-20;2*1-15(17-9-10-19-18(14-17)8-5-13-23-19)22-25-24-21-12-11-20(26-27(21)22)16-6-3-2-4-7-16;1-2-5-17(6-3-1)21-10-11-22-24-15-19(26(22)25-21)14-16-8-9-20-18(13-16)7-4-12-23-20;1-14-9-20(26-13-14)19-6-7-21-23-12-17(25(21)24-19)11-15-4-5-18-16(10-15)3-2-8-22-18;16-13-5-6-14-18-19-15(21(14)20-13)9-10-3-4-12-11(8-10)2-1-7-17-12/h1-8,10-12H,9H2;1-8,10-13H,9H2;1-12,14H,13H2;2*2-15H,1H3;1-13,15H,14H2;2-10,12-13H,11H2,1H3;1-8H,9H2/t;;;2*15-;;;/m...10.../s1
• InChIKey: GDXMYEHORKJEDL-QDFGWAGASA-N
• XLogP: 35.78
• TPSA: 383.31 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2808.54
LogP ≤ 5	35.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?

The IUPAC name of 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline (CID 158227037) is 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline.

What is the SMILES notation for 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?

The canonical SMILES for 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline is C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.C[C@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3ccccc3)nn12.Cc1csc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)c1.Clc1ccc2nnc(Cc3ccc4ncccc4c3)n2n1.Fc1cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cc(F)c1F.Fc1cc(F)cc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)c1.Fc1ccc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1.c1ccc(-c2ccc3ncc(Cc4ccc5ncccc5c4)n3n2)cc1.

What is the InChIKey of 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?

The InChIKey is GDXMYEHORKJEDL-QDFGWAGASA-N. The full InChI is InChI=1S/C22H13F3N4.C22H14F2N4.C22H15FN4.2C22H17N5.C22H16N4.C21H16N4S.C15H10ClN5/c23-17-10-15(11-18(24)22(17)25)20-5-6-21-27-12-16(29(21)28-20)9-13-3-4-19-14(8-13)2-1-7-26-19;23-17-10-16(11-18(24)12-17)21-5-6-22-26-13-19(28(22)27-21)9-14-3-4-20-15(8-14)2-1-7-25-20;23-18-6-4-16(5-7-18)21-9-10-22-25-14-19(27(22)26-21)13-15-3-8-20-17(12-15)2-1-11-24-20;2*1-15(17-9-10-19-18(14-17)8-5-13-23-19)22-25-24-21-12-11-20(26-27(21)22)16-6-3-2-4-7-16;1-2-5-17(6-3-1)21-10-11-22-24-15-19(26(22)25-21)14-16-8-9-20-18(13-16)7-4-12-23-20;1-14-9-20(26-13-14)19-6-7-21-23-12-17(25(21)24-19)11-15-4-5-18-16(10-15)3-2-8-22-18;16-13-5-6-14-18-19-15(21(14)20-13)9-10-3-4-12-11(8-10)2-1-7-17-12/h1-8,10-12H,9H2;1-8,10-13H,9H2;1-12,14H,13H2;2*2-15H,1H3;1-13,15H,14H2;2-10,12-13H,11H2,1H3;1-8H,9H2/t;;;2*15-;;;/m...10.../s1.

What are the key properties of 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline?

6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline has a molecular weight of 2808.54 g/mol, XLogP of 35.78, 23 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]quinoline;6-[[6-(3,5-difluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[[6-(4-methylthiophen-2-yl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline;6-[(6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]quinoline;6-[(1S)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[(1R)-1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl]quinoline;6-[[6-(3,4,5-trifluorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]quinoline is sourced from PubChem (CID 158227037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).