3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile

C8H6N4O — CID 118879404

IUPAC3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile
SMILESCOc1nn(C#N)c2ncccc12
InChIInChI=1S/C8H6N4O/c1-13-8-6-3-2-4-10-7(6)12(5-9)11-8/h2-4H,1H3
InChIKeyUJSIYNAWZDELIL-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.77
Rot. Bonds1

About 3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile

3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile (PubChem CID 118879404) has the molecular formula C8H6N4O and a molecular weight of 174.16 g/mol. Its IUPAC name is 3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile
PubChem CID118879404
Molecular FormulaC8H6N4O
Molecular Weight174.16 g/mol
Exact Mass174.05
IUPAC Name3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile
SMILESCOc1nn(C#N)c2ncccc12
InChIInChI=1S/C8H6N4O/c1-13-8-6-3-2-4-10-7(6)12(5-9)11-8/h2-4H,1H3
InChIKeyUJSIYNAWZDELIL-UHFFFAOYSA-N
XLogP0.77
TPSA63.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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6-methoxyquinoline-5-carbonitrile
CID 603537
2-methoxypyridine-3-diazonium
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2-methoxy-4-methylpyrido[2,3-b]pyrazin-3-one
CID 90362861
3-(2-fluoroethoxy)pyrazolo[5,4-b]pyridin-1-amine
CID 89258548
N-(2-cyanopropan-2-yl)-2-methoxypyridine-3-carboxamide
CID 60966818
ethane;1-methyl-3-propan-2-ylpyrazolo[5,4-b]pyridine
CID 171544275
3,6,9,12,15-pentazatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2,4,6,8,10,12,15,17-nonaene
CID 122642394
ethane;2-methoxy-3-(methoxymethoxy)pyridine
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(2-methoxy-3-pyridinyl)methanamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile?
The IUPAC name of 3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile (CID 118879404) is 3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile.
What is the SMILES notation for 3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile?
The canonical SMILES for 3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile is COc1nn(C#N)c2ncccc12.
What is the InChIKey of 3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile?
The InChIKey is UJSIYNAWZDELIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O/c1-13-8-6-3-2-4-10-7(6)12(5-9)11-8/h2-4H,1H3.
What are the key properties of 3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile?
3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile has a molecular weight of 174.16 g/mol, XLogP of 0.77, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxypyrazolo[5,4-b]pyridine-1-carbonitrile is sourced from PubChem (CID 118879404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).