[4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C56H84B3BrN6O8Si2 — CID 161416070

About [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

[4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161416070) has the molecular formula C56H84B3BrN6O8Si2 and a molecular weight of 1137.83 g/mol. Its IUPAC name is [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 161416070
• Molecular Formula: C56H84B3BrN6O8Si2
• Molecular Weight: 1137.83 g/mol
• Exact Mass: 1136.54
• IUPAC Name: [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC(C)(C)[Si](C)(C)OCc1cc(-n2ncc3ccc(Br)cc32)ccn1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cnn(-c4ccnc(CO[Si](C)(C)C(C)(C)C)c4)c3c2)OC1(C)C
• InChI: InChI=1S/C25H36BN3O3Si.C19H24BrN3OSi.C12H24B2O4/c1-23(2,3)33(8,9)30-17-20-15-21(12-13-27-20)29-22-14-19(11-10-18(22)16-28-29)26-31-24(4,5)25(6,7)32-26;1-19(2,3)25(4,5)24-13-16-11-17(8-9-21-16)23-18-10-15(20)7-6-14(18)12-22-23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h10-16H,17H2,1-9H3;6-12H,13H2,1-5H3;1-8H3
• InChIKey: VWCIFGGFYLNRSL-UHFFFAOYSA-N
• XLogP: 13.20
• TPSA: 135.26 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1137.83
LogP ≤ 5	13.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161416070) is [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC(C)(C)[Si](C)(C)OCc1cc(-n2ncc3ccc(Br)cc32)ccn1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc3cnn(-c4ccnc(CO[Si](C)(C)C(C)(C)C)c4)c3c2)OC1(C)C.

What is the InChIKey of [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is VWCIFGGFYLNRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36BN3O3Si.C19H24BrN3OSi.C12H24B2O4/c1-23(2,3)33(8,9)30-17-20-15-21(12-13-27-20)29-22-14-19(11-10-18(22)16-28-29)26-31-24(4,5)25(6,7)32-26;1-19(2,3)25(4,5)24-13-16-11-17(8-9-21-16)23-18-10-15(20)7-6-14(18)12-22-23;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14/h10-16H,17H2,1-9H3;6-12H,13H2,1-5H3;1-8H3.

What are the key properties of [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

[4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 1137.83 g/mol, XLogP of 13.20, 10 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane;tert-butyl-dimethyl-[[4-[6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-1-yl]-2-pyridinyl]methoxy]silane;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 161416070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).