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

C34H39BBrCl2F2KN8O4 — CID 160960985

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

potassium;5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;acetate (PubChem CID 160960985) has the molecular formula C34H39BBrCl2F2KN8O4 and a molecular weight of 862.45 g/mol. Its IUPAC name is potassium;5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;acetate.

Molecular Properties

• Compound Name: potassium;5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;acetate
• PubChem CID: 160960985
• Molecular Formula: C34H39BBrCl2F2KN8O4
• Molecular Weight: 862.45 g/mol
• Exact Mass: 860.14
• IUPAC Name: potassium;5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;acetate
• SMILES: CC(=O)[O-].CC(Cl)Cl.Cn1cc(-c2nn(C)c3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c23)cn1.Cn1cc(-c2nn(C)c3ccc(Br)c(F)c23)cn1.[K+]
• InChI: InChI=1S/C18H22BFN4O2.C12H10BrFN4.C2H4Cl2.C2H4O2.K/c1-17(2)18(3,4)26-19(25-17)12-7-8-13-14(15(12)20)16(22-24(13)6)11-9-21-23(5)10-11;1-17-6-7(5-15-17)12-10-9(18(2)16-12)4-3-8(13)11(10)14;2*1-2(3)4;/h7-10H,1-6H3;3-6H,1-2H3;2H,1H3;1H3,(H,3,4);/q;;;;+1/p-1
• InChIKey: SWZSUOXBODDASL-UHFFFAOYSA-M
• XLogP: 2.86
• TPSA: 129.87 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.45
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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 potassium;5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;acetate?

The IUPAC name of potassium;5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;acetate (CID 160960985) is potassium;5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;acetate.

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

The canonical SMILES for potassium;5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;acetate is CC(=O)[O-].CC(Cl)Cl.Cn1cc(-c2nn(C)c3ccc(B4OC(C)(C)C(C)(C)O4)c(F)c23)cn1.Cn1cc(-c2nn(C)c3ccc(Br)c(F)c23)cn1.[K+].

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

The InChIKey is SWZSUOXBODDASL-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H22BFN4O2.C12H10BrFN4.C2H4Cl2.C2H4O2.K/c1-17(2)18(3,4)26-19(25-17)12-7-8-13-14(15(12)20)16(22-24(13)6)11-9-21-23(5)10-11;1-17-6-7(5-15-17)12-10-9(18(2)16-12)4-3-8(13)11(10)14;2*1-2(3)4;/h7-10H,1-6H3;3-6H,1-2H3;2H,1H3;1H3,(H,3,4);/q;;;;+1/p-1.

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

potassium;5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;acetate has a molecular weight of 862.45 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;5-bromo-4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)indazole;1,1-dichloroethane;4-fluoro-1-methyl-3-(1-methylpyrazol-4-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazole;acetate is sourced from PubChem (CID 160960985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).