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

C14H20N4OSi — CID 123634189

IUPAC6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESCc1ccc2c(C#N)nn(COCC[Si](C)(C)C)c2n1
InChIInChI=1S/C14H20N4OSi/c1-11-5-6-12-13(9-15)17-18(14(12)16-11)10-19-7-8-20(2,3)4/h5-6H,7-8,10H2,1-4H3
InChIKeyITKPZCWTSULFKR-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.92
Rot. Bonds5

About 6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile

6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile (PubChem CID 123634189) has the molecular formula C14H20N4OSi and a molecular weight of 288.43 g/mol. Its IUPAC name is 6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
PubChem CID123634189
Molecular FormulaC14H20N4OSi
Molecular Weight288.43 g/mol
Exact Mass288.14
IUPAC Name6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESCc1ccc2c(C#N)nn(COCC[Si](C)(C)C)c2n1
InChIInChI=1S/C14H20N4OSi/c1-11-5-6-12-13(9-15)17-18(14(12)16-11)10-19-7-8-20(2,3)4/h5-6H,7-8,10H2,1-4H3
InChIKeyITKPZCWTSULFKR-UHFFFAOYSA-N
XLogP2.92
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.92
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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Related Compounds

6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-amine
CID 141449114
5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 171465845
7,7-dimethyl-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-5H-pyrrolo[2,3-e][1,2,4]triazin-6-one
CID 123777860
2-[(6-chloro-3-iodopyrazolo[5,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 163251887
ethyl 1-[5-chloro-3-[6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]-1,2,4-triazin-6-yl]cyclopropane-1-carboxylate
CID 123570217
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 168825139
[5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid
CID 22343067
3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
CID 135086401
3-oxo-2-(2-trimethylsilylethoxymethyl)pyridazine-4-carbonitrile
CID 172806040
2-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-4,5-dicarbonitrile
CID 19778352
1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone
CID 156716995
2-[(5-bromo-3-methyl-1,2,4-triazol-1-yl)methoxy]ethyl-trimethylsilane
CID 170992560

Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile (CID 123634189) is 6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile is Cc1ccc2c(C#N)nn(COCC[Si](C)(C)C)c2n1.
What is the InChIKey of 6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
The InChIKey is ITKPZCWTSULFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OSi/c1-11-5-6-12-13(9-15)17-18(14(12)16-11)10-19-7-8-20(2,3)4/h5-6H,7-8,10H2,1-4H3.
What are the key properties of 6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile has a molecular weight of 288.43 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 123634189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).