4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile

C15H20N4OSi — CID 168824730

IUPAC4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESC=Cc1ccnc2c1c(C#N)nn2COCC[Si](C)(C)C
InChIInChI=1S/C15H20N4OSi/c1-5-12-6-7-17-15-14(12)13(10-16)18-19(15)11-20-8-9-21(2,3)4/h5-7H,1,8-9,11H2,2-4H3
InChIKeyBUFRHSAQQRORSU-UHFFFAOYSA-N
MW300.44 g/mol
LogP3.26
Rot. Bonds6

About 4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile

4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile (PubChem CID 168824730) has the molecular formula C15H20N4OSi and a molecular weight of 300.44 g/mol. Its IUPAC name is 4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
PubChem CID168824730
Molecular FormulaC15H20N4OSi
Molecular Weight300.44 g/mol
Exact Mass300.14
IUPAC Name4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESC=Cc1ccnc2c1c(C#N)nn2COCC[Si](C)(C)C
InChIInChI=1S/C15H20N4OSi/c1-5-12-6-7-17-15-14(12)13(10-16)18-19(15)11-20-8-9-21(2,3)4/h5-7H,1,8-9,11H2,2-4H3
InChIKeyBUFRHSAQQRORSU-UHFFFAOYSA-N
XLogP3.26
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile (CID 168824730) is 4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile is C=Cc1ccnc2c1c(C#N)nn2COCC[Si](C)(C)C.
What is the InChIKey of 4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
The InChIKey is BUFRHSAQQRORSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OSi/c1-5-12-6-7-17-15-14(12)13(10-16)18-19(15)11-20-8-9-21(2,3)4/h5-7H,1,8-9,11H2,2-4H3.
What are the key properties of 4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile has a molecular weight of 300.44 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 168824730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).