2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one

C14H13N3O — CID 67851555

IUPAC2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one
SMILESCCn1c(=O)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C14H13N3O/c1-2-16-14(18)12-9-6-10-15-13(12)17(16)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyAGKVFHJLLRAITD-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.21
Rot. Bonds2

About 2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one

2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one (PubChem CID 67851555) has the molecular formula C14H13N3O and a molecular weight of 239.28 g/mol. Its IUPAC name is 2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one.

Molecular Properties

Compound Name2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one
PubChem CID67851555
Molecular FormulaC14H13N3O
Molecular Weight239.28 g/mol
Exact Mass239.11
IUPAC Name2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one
SMILESCCn1c(=O)c2cccnc2n1-c1ccccc1
InChIInChI=1S/C14H13N3O/c1-2-16-14(18)12-9-6-10-15-13(12)17(16)11-7-4-3-5-8-11/h3-10H,2H2,1H3
InChIKeyAGKVFHJLLRAITD-UHFFFAOYSA-N
XLogP2.21
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-ethyl-1-phenylpyrazolo[3,4-b]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-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one?
The IUPAC name of 2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one (CID 67851555) is 2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one.
What is the SMILES notation for 2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one?
The canonical SMILES for 2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one is CCn1c(=O)c2cccnc2n1-c1ccccc1.
What is the InChIKey of 2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one?
The InChIKey is AGKVFHJLLRAITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O/c1-2-16-14(18)12-9-6-10-15-13(12)17(16)11-7-4-3-5-8-11/h3-10H,2H2,1H3.
What are the key properties of 2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one?
2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one has a molecular weight of 239.28 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-phenylpyrazolo[3,4-b]pyridin-3-one is sourced from PubChem (CID 67851555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).