5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane

C34H44BBrCl2F2N8O2 — CID 159678706

About 5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane

5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane (PubChem CID 159678706) has the molecular formula C34H44BBrCl2F2N8O2 and a molecular weight of 796.40 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane.

Molecular Properties

• Compound Name: 5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane
• PubChem CID: 159678706
• Molecular Formula: C34H44BBrCl2F2N8O2
• Molecular Weight: 796.40 g/mol
• Exact Mass: 794.22
• IUPAC Name: 5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane
• SMILES: C.C.CC(Cl)Cl.Cn1cc(-c2nn(C)c3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc23)cn1.Cn1cc(-c2nn(C)c3cc(F)c(Br)cc23)cn1
• InChI: InChI=1S/C18H22BFN4O2.C12H10BrFN4.C2H4Cl2.2CH4/c1-17(2)18(3,4)26-19(25-17)13-7-12-15(8-14(13)20)24(6)22-16(12)11-9-21-23(5)10-11;1-17-6-7(5-15-17)12-8-3-9(13)10(14)4-11(8)18(2)16-12;1-2(3)4;;/h7-10H,1-6H3;3-6H,1-2H3;2H,1H3;2*1H4
• InChIKey: MUYBJQLAKNCNPJ-UHFFFAOYSA-N
• XLogP: 8.37
• TPSA: 89.74 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.40
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane?

The IUPAC name of 5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane (CID 159678706) is 5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane.

What is the SMILES notation for 5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane?

The canonical SMILES for 5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane is C.C.CC(Cl)Cl.Cn1cc(-c2nn(C)c3cc(F)c(B4OC(C)(C)C(C)(C)O4)cc23)cn1.Cn1cc(-c2nn(C)c3cc(F)c(Br)cc23)cn1.

What is the InChIKey of 5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane?

The InChIKey is MUYBJQLAKNCNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22BFN4O2.C12H10BrFN4.C2H4Cl2.2CH4/c1-17(2)18(3,4)26-19(25-17)13-7-12-15(8-14(13)20)24(6)22-16(12)11-9-21-23(5)10-11;1-17-6-7(5-15-17)12-8-3-9(13)10(14)4-11(8)18(2)16-12;1-2(3)4;;/h7-10H,1-6H3;3-6H,1-2H3;2H,1H3;2*1H4.

What are the key properties of 5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane?

5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane has a molecular weight of 796.40 g/mol, XLogP of 8.37, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;6-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;methane is sourced from PubChem (CID 159678706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).