6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde

C13H16N2O2 — CID 84740931

IUPAC6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCOc1ccc2c(C=O)nc(CC(C)C)n2c1
InChIInChI=1S/C13H16N2O2/c1-9(2)6-13-14-11(8-16)12-5-4-10(17-3)7-15(12)13/h4-5,7-9H,6H2,1-3H3
InChIKeyHZOSVHANCVOKOU-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.35
Rot. Bonds4

About 6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde

6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 84740931) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID84740931
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCOc1ccc2c(C=O)nc(CC(C)C)n2c1
InChIInChI=1S/C13H16N2O2/c1-9(2)6-13-14-11(8-16)12-5-4-10(17-3)7-15(12)13/h4-5,7-9H,6H2,1-3H3
InChIKeyHZOSVHANCVOKOU-UHFFFAOYSA-N
XLogP2.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.35
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 6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde (CID 84740931) is 6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde is COc1ccc2c(C=O)nc(CC(C)C)n2c1.
What is the InChIKey of 6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is HZOSVHANCVOKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)6-13-14-11(8-16)12-5-4-10(17-3)7-15(12)13/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 232.28 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3-(2-methylpropyl)imidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 84740931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).