pyrazolo[3,4-b]pyridin-6-one

C6H3N3O — CID 23115948

IUPACpyrazolo[3,4-b]pyridin-6-one
SMILESO=C1C=CC2=CN=NC2=N1
InChIInChI=1S/C6H3N3O/c10-5-2-1-4-3-7-9-6(4)8-5/h1-3H
InChIKeyWTMWDUVEPDGKKG-UHFFFAOYSA-N
MW133.11 g/mol
LogP0.83
Rot. Bonds

About pyrazolo[3,4-b]pyridin-6-one

pyrazolo[3,4-b]pyridin-6-one (PubChem CID 23115948) has the molecular formula C6H3N3O and a molecular weight of 133.11 g/mol. Its IUPAC name is pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Namepyrazolo[3,4-b]pyridin-6-one
PubChem CID23115948
Molecular FormulaC6H3N3O
Molecular Weight133.11 g/mol
Exact Mass133.03
IUPAC Namepyrazolo[3,4-b]pyridin-6-one
SMILESO=C1C=CC2=CN=NC2=N1
InChIInChI=1S/C6H3N3O/c10-5-2-1-4-3-7-9-6(4)8-5/h1-3H
InChIKeyWTMWDUVEPDGKKG-UHFFFAOYSA-N
XLogP0.83
TPSA54.15 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.11
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of pyrazolo[3,4-b]pyridin-6-one (CID 23115948) is pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for pyrazolo[3,4-b]pyridin-6-one is O=C1C=CC2=CN=NC2=N1.
What is the InChIKey of pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is WTMWDUVEPDGKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N3O/c10-5-2-1-4-3-7-9-6(4)8-5/h1-3H.
What are the key properties of pyrazolo[3,4-b]pyridin-6-one?
pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 133.11 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 23115948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).