1H-pyrazolo[3,4-b]pyridine-4-carbonitrile

C7H4N4 — CID 69434551

IUPAC1H-pyrazolo[3,4-b]pyridine-4-carbonitrile
SMILESN#Cc1ccnc2[nH]ncc12
InChIInChI=1S/C7H4N4/c8-3-5-1-2-9-7-6(5)4-10-11-7/h1-2,4H,(H,9,10,11)
InChIKeyOURXKMZTZITQLW-UHFFFAOYSA-N
MW144.14 g/mol
LogP0.83
Rot. Bonds

About 1H-pyrazolo[3,4-b]pyridine-4-carbonitrile

1H-pyrazolo[3,4-b]pyridine-4-carbonitrile (PubChem CID 69434551) has the molecular formula C7H4N4 and a molecular weight of 144.14 g/mol. Its IUPAC name is 1H-pyrazolo[3,4-b]pyridine-4-carbonitrile.

Molecular Properties

Compound Name1H-pyrazolo[3,4-b]pyridine-4-carbonitrile
PubChem CID69434551
Molecular FormulaC7H4N4
Molecular Weight144.14 g/mol
Exact Mass144.04
IUPAC Name1H-pyrazolo[3,4-b]pyridine-4-carbonitrile
SMILESN#Cc1ccnc2[nH]ncc12
InChIInChI=1S/C7H4N4/c8-3-5-1-2-9-7-6(5)4-10-11-7/h1-2,4H,(H,9,10,11)
InChIKeyOURXKMZTZITQLW-UHFFFAOYSA-N
XLogP0.83
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.14
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazolo[3,4-b]pyridine-4-carbonitrile?
The IUPAC name of 1H-pyrazolo[3,4-b]pyridine-4-carbonitrile (CID 69434551) is 1H-pyrazolo[3,4-b]pyridine-4-carbonitrile.
What is the SMILES notation for 1H-pyrazolo[3,4-b]pyridine-4-carbonitrile?
The canonical SMILES for 1H-pyrazolo[3,4-b]pyridine-4-carbonitrile is N#Cc1ccnc2[nH]ncc12.
What is the InChIKey of 1H-pyrazolo[3,4-b]pyridine-4-carbonitrile?
The InChIKey is OURXKMZTZITQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4/c8-3-5-1-2-9-7-6(5)4-10-11-7/h1-2,4H,(H,9,10,11).
What are the key properties of 1H-pyrazolo[3,4-b]pyridine-4-carbonitrile?
1H-pyrazolo[3,4-b]pyridine-4-carbonitrile has a molecular weight of 144.14 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazolo[3,4-b]pyridine-4-carbonitrile is sourced from PubChem (CID 69434551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).