1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde

C13H19N3O2Si — CID 169159905

IUPAC1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde
SMILESC[Si](C)(C)CCOCn1nc(C=O)c2ccncc21
InChIInChI=1S/C13H19N3O2Si/c1-19(2,3)7-6-18-10-16-13-8-14-5-4-11(13)12(9-17)15-16/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyZVGQMTYPLUTKLA-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.56
Rot. Bonds6

About 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde

1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde (PubChem CID 169159905) has the molecular formula C13H19N3O2Si and a molecular weight of 277.40 g/mol. Its IUPAC name is 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde
PubChem CID169159905
Molecular FormulaC13H19N3O2Si
Molecular Weight277.40 g/mol
Exact Mass277.12
IUPAC Name1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde
SMILESC[Si](C)(C)CCOCn1nc(C=O)c2ccncc21
InChIInChI=1S/C13H19N3O2Si/c1-19(2,3)7-6-18-10-16-13-8-14-5-4-11(13)12(9-17)15-16/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyZVGQMTYPLUTKLA-UHFFFAOYSA-N
XLogP2.56
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde?
The IUPAC name of 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde (CID 169159905) is 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde.
What is the SMILES notation for 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde?
The canonical SMILES for 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde is C[Si](C)(C)CCOCn1nc(C=O)c2ccncc21.
What is the InChIKey of 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde?
The InChIKey is ZVGQMTYPLUTKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2Si/c1-19(2,3)7-6-18-10-16-13-8-14-5-4-11(13)12(9-17)15-16/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde?
1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde has a molecular weight of 277.40 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-c]pyridine-3-carbaldehyde is sourced from PubChem (CID 169159905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).