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

C19H24BrN3OSi — CID 140798478

IUPAC[4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc(-n2ncc3ccc(Br)cc32)ccn1
InChIInChI=1S/C19H24BrN3OSi/c1-19(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/h6-12H,13H2,1-5H3
InChIKeyWBADFWJSYLJTHY-UHFFFAOYSA-N
MW418.41 g/mol
LogP5.70
Rot. Bonds4

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

[4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane (PubChem CID 140798478) has the molecular formula C19H24BrN3OSi and a molecular weight of 418.41 g/mol. Its IUPAC name is [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
PubChem CID140798478
Molecular FormulaC19H24BrN3OSi
Molecular Weight418.41 g/mol
Exact Mass417.09
IUPAC Name[4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCc1cc(-n2ncc3ccc(Br)cc32)ccn1
InChIInChI=1S/C19H24BrN3OSi/c1-19(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/h6-12H,13H2,1-5H3
InChIKeyWBADFWJSYLJTHY-UHFFFAOYSA-N
XLogP5.70
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.41
LogP ≤ 55.70
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 [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
The IUPAC name of [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane (CID 140798478) is [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
The canonical SMILES for [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCc1cc(-n2ncc3ccc(Br)cc32)ccn1.
What is the InChIKey of [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
The InChIKey is WBADFWJSYLJTHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3OSi/c1-19(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/h6-12H,13H2,1-5H3.
What are the key properties of [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane?
[4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane has a molecular weight of 418.41 g/mol, XLogP of 5.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-bromoindazol-1-yl)-2-pyridinyl]methoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 140798478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).