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

C13H18N4O2Si — CID 171465845

IUPAC5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESC[Si](C)(C)CCOCn1nc(C#N)c2cc(O)cnc21
InChIInChI=1S/C13H18N4O2Si/c1-20(2,3)5-4-19-9-17-13-11(12(7-14)16-17)6-10(18)8-15-13/h6,8,18H,4-5,9H2,1-3H3
InChIKeyQZNZGXYHFAHODB-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.32
Rot. Bonds5

About 5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile

5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile (PubChem CID 171465845) has the molecular formula C13H18N4O2Si and a molecular weight of 290.40 g/mol. Its IUPAC name is 5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
PubChem CID171465845
Molecular FormulaC13H18N4O2Si
Molecular Weight290.40 g/mol
Exact Mass290.12
IUPAC Name5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
SMILESC[Si](C)(C)CCOCn1nc(C#N)c2cc(O)cnc21
InChIInChI=1S/C13H18N4O2Si/c1-20(2,3)5-4-19-9-17-13-11(12(7-14)16-17)6-10(18)8-15-13/h6,8,18H,4-5,9H2,1-3H3
InChIKeyQZNZGXYHFAHODB-UHFFFAOYSA-N
XLogP2.32
TPSA83.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.32
H-Bond Donors ≤ 51
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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Related Compounds

6-methyl-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 123634189
2-[(5-bromo-3-cyclopropylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 71562636
2-[(5-bromo-3-ethenylpyrazolo[3,4-b]pyridin-1-yl)methoxy]ethyl-trimethylsilane
CID 171465843
3-bromo-1-(2-trimethylsilylethoxymethyl)pyrazole-5-carbonitrile
CID 135086401
2-[5-bromo-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridin-3-yl]acetaldehyde
CID 171465871
[5-cyano-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]carbamic acid
CID 22343067
1-[1-(2-trimethylsilylethoxymethyl)pyrazolo[5,4-b]pyridin-3-yl]ethanone
CID 156716995
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile
CID 168825139
1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 58243790
4-chloro-2-iodo-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridine-5-carbonitrile
CID 171614713
3-cyano-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 175278187
4-oxo-1-(2-trimethylsilylethoxymethyl)-5H-pyrazolo[5,4-d]pyrimidine-3-carboxylic acid
CID 140776896

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
The IUPAC name of 5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile (CID 171465845) is 5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile.
What is the SMILES notation for 5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
The canonical SMILES for 5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile is C[Si](C)(C)CCOCn1nc(C#N)c2cc(O)cnc21.
What is the InChIKey of 5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
The InChIKey is QZNZGXYHFAHODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2Si/c1-20(2,3)5-4-19-9-17-13-11(12(7-14)16-17)6-10(18)8-15-13/h6,8,18H,4-5,9H2,1-3H3.
What are the key properties of 5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile?
5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile has a molecular weight of 290.40 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(2-trimethylsilylethoxymethyl)pyrazolo[3,4-b]pyridine-3-carbonitrile is sourced from PubChem (CID 171465845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).