1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde

C8H7N3O — CID 63771016

IUPAC1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde
SMILESCn1ncc2cc(C=O)cnc21
InChIInChI=1S/C8H7N3O/c1-11-8-7(4-10-11)2-6(5-12)3-9-8/h2-5H,1H3
InChIKeyLXQLWVNFWHGYNB-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.78
Rot. Bonds1

About 1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde

1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde (PubChem CID 63771016) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde
PubChem CID63771016
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde
SMILESCn1ncc2cc(C=O)cnc21
InChIInChI=1S/C8H7N3O/c1-11-8-7(4-10-11)2-6(5-12)3-9-8/h2-5H,1H3
InChIKeyLXQLWVNFWHGYNB-UHFFFAOYSA-N
XLogP0.78
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde?
The IUPAC name of 1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde (CID 63771016) is 1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde.
What is the SMILES notation for 1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde?
The canonical SMILES for 1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde is Cn1ncc2cc(C=O)cnc21.
What is the InChIKey of 1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde?
The InChIKey is LXQLWVNFWHGYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-11-8-7(4-10-11)2-6(5-12)3-9-8/h2-5H,1H3.
What are the key properties of 1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde?
1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde has a molecular weight of 161.16 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazolo[5,4-b]pyridine-5-carbaldehyde is sourced from PubChem (CID 63771016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).