4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal

C10H9N3O — CID 170482011

IUPAC4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal
SMILESO=CCC=Cc1cnc2cn[nH]c2c1
InChIInChI=1S/C10H9N3O/c14-4-2-1-3-8-5-9-10(11-6-8)7-12-13-9/h1,3-7H,2H2,(H,12,13)
InChIKeyFHQXUAFMHCPBGJ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.56
Rot. Bonds3

About 4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal

4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal (PubChem CID 170482011) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal.

Molecular Properties

Compound Name4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal
PubChem CID170482011
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal
SMILESO=CCC=Cc1cnc2cn[nH]c2c1
InChIInChI=1S/C10H9N3O/c14-4-2-1-3-8-5-9-10(11-6-8)7-12-13-9/h1,3-7H,2H2,(H,12,13)
InChIKeyFHQXUAFMHCPBGJ-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal?
The IUPAC name of 4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal (CID 170482011) is 4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal.
What is the SMILES notation for 4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal?
The canonical SMILES for 4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal is O=CCC=Cc1cnc2cn[nH]c2c1.
What is the InChIKey of 4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal?
The InChIKey is FHQXUAFMHCPBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-4-2-1-3-8-5-9-10(11-6-8)7-12-13-9/h1,3-7H,2H2,(H,12,13).
What are the key properties of 4-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal?
4-(1H-pyrazolo[4,5-b]pyridin-6-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-(1H-pyrazolo[4,5-b]pyridin-6-yl)but-3-enal is sourced from PubChem (CID 170482011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).