4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal

C10H9N3O — CID 170482014

IUPAC4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal
SMILESO=CCC=Cc1[nH]nc2ncccc12
InChIInChI=1S/C10H9N3O/c14-7-2-1-5-9-8-4-3-6-11-10(8)13-12-9/h1,3-7H,2H2,(H,11,12,13)
InChIKeyZCZCXWKMYPLLBX-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.56
Rot. Bonds3

About 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal

4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal (PubChem CID 170482014) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal.

Molecular Properties

Compound Name4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal
PubChem CID170482014
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal
SMILESO=CCC=Cc1[nH]nc2ncccc12
InChIInChI=1S/C10H9N3O/c14-7-2-1-5-9-8-4-3-6-11-10(8)13-12-9/h1,3-7H,2H2,(H,11,12,13)
InChIKeyZCZCXWKMYPLLBX-UHFFFAOYSA-N
XLogP1.56
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal 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 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal?
The IUPAC name of 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal (CID 170482014) is 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal.
What is the SMILES notation for 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal?
The canonical SMILES for 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal is O=CCC=Cc1[nH]nc2ncccc12.
What is the InChIKey of 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal?
The InChIKey is ZCZCXWKMYPLLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-7-2-1-5-9-8-4-3-6-11-10(8)13-12-9/h1,3-7H,2H2,(H,11,12,13).
What are the key properties of 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal?
4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal has a molecular weight of 187.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2H-pyrazolo[3,4-b]pyridin-3-yl)but-3-enal is sourced from PubChem (CID 170482014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).