[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane

C20H26BrN3OSi — CID 157150776

IUPAC[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
SMILESCc1cc(Br)c2cnn(-c3cccc(CO[Si](C)(C)C(C)(C)C)n3)c2c1
InChIInChI=1S/C20H26BrN3OSi/c1-14-10-17(21)16-12-22-24(18(16)11-14)19-9-7-8-15(23-19)13-25-26(5,6)20(2,3)4/h7-12H,13H2,1-6H3
InChIKeySJYXEZAKVKPLQD-UHFFFAOYSA-N
MW432.44 g/mol
LogP6.01
Rot. Bonds4

About [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane

[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 157150776) has the molecular formula C20H26BrN3OSi and a molecular weight of 432.44 g/mol. Its IUPAC name is [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
PubChem CID157150776
Molecular FormulaC20H26BrN3OSi
Molecular Weight432.44 g/mol
Exact Mass431.10
IUPAC Name[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
SMILESCc1cc(Br)c2cnn(-c3cccc(CO[Si](C)(C)C(C)(C)C)n3)c2c1
InChIInChI=1S/C20H26BrN3OSi/c1-14-10-17(21)16-12-22-24(18(16)11-14)19-9-7-8-15(23-19)13-25-26(5,6)20(2,3)4/h7-12H,13H2,1-6H3
InChIKeySJYXEZAKVKPLQD-UHFFFAOYSA-N
XLogP6.01
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.44
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane (CID 157150776) is [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane is Cc1cc(Br)c2cnn(-c3cccc(CO[Si](C)(C)C(C)(C)C)n3)c2c1.
What is the InChIKey of [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is SJYXEZAKVKPLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26BrN3OSi/c1-14-10-17(21)16-12-22-24(18(16)11-14)19-9-7-8-15(23-19)13-25-26(5,6)20(2,3)4/h7-12H,13H2,1-6H3.
What are the key properties of [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
[6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 432.44 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-bromo-6-methylindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 157150776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).