2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

C21H24FN5OSi — CID 153434186

IUPAC2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc3nncn3c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H24FN5OSi/c1-29(2,3)11-10-28-15-27-13-19(17-6-9-20-24-23-14-26(20)12-17)21(25-27)16-4-7-18(22)8-5-16/h4-9,12-14H,10-11,15H2,1-3H3
InChIKeyDTDBQJALNWZDSF-UHFFFAOYSA-N
MW409.54 g/mol
LogP4.71
Rot. Bonds7

About 2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane

2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (PubChem CID 153434186) has the molecular formula C21H24FN5OSi and a molecular weight of 409.54 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
PubChem CID153434186
Molecular FormulaC21H24FN5OSi
Molecular Weight409.54 g/mol
Exact Mass409.17
IUPAC Name2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane
SMILESC[Si](C)(C)CCOCn1cc(-c2ccc3nncn3c2)c(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H24FN5OSi/c1-29(2,3)11-10-28-15-27-13-19(17-6-9-20-24-23-14-26(20)12-17)21(25-27)16-4-7-18(22)8-5-16/h4-9,12-14H,10-11,15H2,1-3H3
InChIKeyDTDBQJALNWZDSF-UHFFFAOYSA-N
XLogP4.71
TPSA57.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.54
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane (CID 153434186) is 2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is C[Si](C)(C)CCOCn1cc(-c2ccc3nncn3c2)c(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
The InChIKey is DTDBQJALNWZDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5OSi/c1-29(2,3)11-10-28-15-27-13-19(17-6-9-20-24-23-14-26(20)12-17)21(25-27)16-4-7-18(22)8-5-16/h4-9,12-14H,10-11,15H2,1-3H3.
What are the key properties of 2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane?
2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane has a molecular weight of 409.54 g/mol, XLogP of 4.71, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-4-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrazol-1-yl]methoxy]ethyl-trimethylsilane is sourced from PubChem (CID 153434186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).