2,7-dihydropyrazolo[3,4-c]pyridin-3-one

C6H5N3O — CID 175216469

IUPAC2,7-dihydropyrazolo[3,4-c]pyridin-3-one
SMILESO=C1NN=C2CN=CC=C12
InChIInChI=1S/C6H5N3O/c10-6-4-1-2-7-3-5(4)8-9-6/h1-2H,3H2,(H,9,10)
InChIKeyVWOKNXAPOSXGCD-UHFFFAOYSA-N
MW135.13 g/mol
LogP-0.52
Rot. Bonds

About 2,7-dihydropyrazolo[3,4-c]pyridin-3-one

2,7-dihydropyrazolo[3,4-c]pyridin-3-one (PubChem CID 175216469) has the molecular formula C6H5N3O and a molecular weight of 135.13 g/mol. Its IUPAC name is 2,7-dihydropyrazolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name2,7-dihydropyrazolo[3,4-c]pyridin-3-one
PubChem CID175216469
Molecular FormulaC6H5N3O
Molecular Weight135.13 g/mol
Exact Mass135.04
IUPAC Name2,7-dihydropyrazolo[3,4-c]pyridin-3-one
SMILESO=C1NN=C2CN=CC=C12
InChIInChI=1S/C6H5N3O/c10-6-4-1-2-7-3-5(4)8-9-6/h1-2H,3H2,(H,9,10)
InChIKeyVWOKNXAPOSXGCD-UHFFFAOYSA-N
XLogP-0.52
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.13
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}

Analyze 2,7-dihydropyrazolo[3,4-c]pyridin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,7-dihydropyrazolo[3,4-c]pyridin-3-one?
The IUPAC name of 2,7-dihydropyrazolo[3,4-c]pyridin-3-one (CID 175216469) is 2,7-dihydropyrazolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 2,7-dihydropyrazolo[3,4-c]pyridin-3-one?
The canonical SMILES for 2,7-dihydropyrazolo[3,4-c]pyridin-3-one is O=C1NN=C2CN=CC=C12.
What is the InChIKey of 2,7-dihydropyrazolo[3,4-c]pyridin-3-one?
The InChIKey is VWOKNXAPOSXGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3O/c10-6-4-1-2-7-3-5(4)8-9-6/h1-2H,3H2,(H,9,10).
What are the key properties of 2,7-dihydropyrazolo[3,4-c]pyridin-3-one?
2,7-dihydropyrazolo[3,4-c]pyridin-3-one has a molecular weight of 135.13 g/mol, XLogP of -0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dihydropyrazolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 175216469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).