6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane

C66H78BBrCl2F3N15O4Si2 — CID 158434478

About 6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane

6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane (PubChem CID 158434478) has the molecular formula C66H78BBrCl2F3N15O4Si2 and a molecular weight of 1420.24 g/mol. Its IUPAC name is 6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane.

Molecular Properties

• Compound Name: 6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane
• PubChem CID: 158434478
• Molecular Formula: C66H78BBrCl2F3N15O4Si2
• Molecular Weight: 1420.24 g/mol
• Exact Mass: 1417.45
• IUPAC Name: 6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane
• SMILES: Brc1ccc2nccn2n1.C.CC(Cl)Cl.CC1(C)OB(c2cn(COCC[Si](C)(C)C)nc2-c2ccc(F)cc2)OC1(C)C.C[Si](C)(C)CCOCn1cc(-c2ccc3nccn3n2)c(-c2ccc(F)cc2)n1.Fc1ccc(-c2[nH]ncc2-c2ccc3nccn3n2)cc1
• InChI: InChI=1S/C21H32BFN2O3Si.C21H24FN5OSi.C15H10FN5.C6H4BrN3.C2H4Cl2.CH4/c1-20(2)21(3,4)28-22(27-20)18-14-25(15-26-12-13-29(5,6)7)24-19(18)16-8-10-17(23)11-9-16;1-29(2,3)13-12-28-15-26-14-18(19-8-9-20-23-10-11-27(20)24-19)21(25-26)16-4-6-17(22)7-5-16;16-11-3-1-10(2-4-11)15-12(9-18-19-15)13-5-6-14-17-7-8-21(14)20-13;7-5-1-2-6-8-3-4-10(6)9-5;1-2(3)4;/h8-11,14H,12-13,15H2,1-7H3;4-11,14H,12-13,15H2,1-3H3;1-9H,(H,18,19);1-4H;2H,1H3;1H4
• InChIKey: HCBBOJUCERMVPZ-UHFFFAOYSA-N
• XLogP: 15.88
• TPSA: 191.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1420.24
LogP ≤ 5	15.88
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane?

The IUPAC name of 6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane (CID 158434478) is 6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane.

What is the SMILES notation for 6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane?

The canonical SMILES for 6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane is Brc1ccc2nccn2n1.C.CC(Cl)Cl.CC1(C)OB(c2cn(COCC[Si](C)(C)C)nc2-c2ccc(F)cc2)OC1(C)C.C[Si](C)(C)CCOCn1cc(-c2ccc3nccn3n2)c(-c2ccc(F)cc2)n1.Fc1ccc(-c2[nH]ncc2-c2ccc3nccn3n2)cc1.

What is the InChIKey of 6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane?

The InChIKey is HCBBOJUCERMVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32BFN2O3Si.C21H24FN5OSi.C15H10FN5.C6H4BrN3.C2H4Cl2.CH4/c1-20(2)21(3,4)28-22(27-20)18-14-25(15-26-12-13-29(5,6)7)24-19(18)16-8-10-17(23)11-9-16;1-29(2,3)13-12-28-15-26-14-18(19-8-9-20-23-10-11-27(20)24-19)21(25-26)16-4-6-17(22)7-5-16;16-11-3-1-10(2-4-11)15-12(9-18-19-15)13-5-6-14-17-7-8-21(14)20-13;7-5-1-2-6-8-3-4-10(6)9-5;1-2(3)4;/h8-11,14H,12-13,15H2,1-7H3;4-11,14H,12-13,15H2,1-3H3;1-9H,(H,18,19);1-4H;2H,1H3;1H4.

What are the key properties of 6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane?

6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane has a molecular weight of 1420.24 g/mol, XLogP of 15.88, 16 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromoimidazo[1,2-b]pyridazine;1,1-dichloroethane;2-[[3-(4-fluorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpyrazol-1-yl]methoxy]ethyl-trimethylsilane;6-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-b]pyridazine;2-[[3-(4-fluorophenyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane;methane is sourced from PubChem (CID 158434478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).