3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde

C13H14N2O — CID 83835492

IUPAC3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1nc(C2CCC2)n2cc(C=O)ccc12
InChIInChI=1S/C13H14N2O/c1-9-12-6-5-10(8-16)7-15(12)13(14-9)11-3-2-4-11/h5-8,11H,2-4H2,1H3
InChIKeyBJQCWOATSBCAJL-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.72
Rot. Bonds2

About 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde

3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 83835492) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde
PubChem CID83835492
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde
SMILESCc1nc(C2CCC2)n2cc(C=O)ccc12
InChIInChI=1S/C13H14N2O/c1-9-12-6-5-10(8-16)7-15(12)13(14-9)11-3-2-4-11/h5-8,11H,2-4H2,1H3
InChIKeyBJQCWOATSBCAJL-UHFFFAOYSA-N
XLogP2.72
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
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 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde (CID 83835492) is 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde is Cc1nc(C2CCC2)n2cc(C=O)ccc12.
What is the InChIKey of 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is BJQCWOATSBCAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-12-6-5-10(8-16)7-15(12)13(14-9)11-3-2-4-11/h5-8,11H,2-4H2,1H3.
What are the key properties of 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde?
3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde has a molecular weight of 214.27 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-1-methylimidazo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 83835492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).