1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one

C12H9N3O — CID 4293432

IUPAC1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESO=c1[nH]n(-c2ccccc2)c2ncccc12
InChIInChI=1S/C12H9N3O/c16-12-10-7-4-8-13-11(10)15(14-12)9-5-2-1-3-6-9/h1-8H,(H,14,16)
InChIKeyLQAKRSXPUIKTEV-UHFFFAOYSA-N
MW211.22 g/mol
LogP1.71
Rot. Bonds1

About 1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one

1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one (PubChem CID 4293432) has the molecular formula C12H9N3O and a molecular weight of 211.22 g/mol. Its IUPAC name is 1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one
PubChem CID4293432
Molecular FormulaC12H9N3O
Molecular Weight211.22 g/mol
Exact Mass211.07
IUPAC Name1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one
SMILESO=c1[nH]n(-c2ccccc2)c2ncccc12
InChIInChI=1S/C12H9N3O/c16-12-10-7-4-8-13-11(10)15(14-12)9-5-2-1-3-6-9/h1-8H,(H,14,16)
InChIKeyLQAKRSXPUIKTEV-UHFFFAOYSA-N
XLogP1.71
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one (CID 4293432) is 1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one is O=c1[nH]n(-c2ccccc2)c2ncccc12.
What is the InChIKey of 1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one?
The InChIKey is LQAKRSXPUIKTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O/c16-12-10-7-4-8-13-11(10)15(14-12)9-5-2-1-3-6-9/h1-8H,(H,14,16).
What are the key properties of 1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one?
1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one has a molecular weight of 211.22 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2H-pyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 4293432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).