3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde

C14H16N2O — CID 83840045

IUPAC3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde
SMILESCc1nc(C2CCCC2)n2ccc(C=O)cc12
InChIInChI=1S/C14H16N2O/c1-10-13-8-11(9-17)6-7-16(13)14(15-10)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3
InChIKeyIIQSVWZYWOZSQZ-UHFFFAOYSA-N
MW228.30 g/mol
LogP3.11
Rot. Bonds2

About 3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde

3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde (PubChem CID 83840045) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde
PubChem CID83840045
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde
SMILESCc1nc(C2CCCC2)n2ccc(C=O)cc12
InChIInChI=1S/C14H16N2O/c1-10-13-8-11(9-17)6-7-16(13)14(15-10)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3
InChIKeyIIQSVWZYWOZSQZ-UHFFFAOYSA-N
XLogP3.11
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 53.11
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-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde?
The IUPAC name of 3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde (CID 83840045) is 3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde?
The canonical SMILES for 3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde is Cc1nc(C2CCCC2)n2ccc(C=O)cc12.
What is the InChIKey of 3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde?
The InChIKey is IIQSVWZYWOZSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10-13-8-11(9-17)6-7-16(13)14(15-10)12-4-2-3-5-12/h6-9,12H,2-5H2,1H3.
What are the key properties of 3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde?
3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde has a molecular weight of 228.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-1-methylimidazo[1,5-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 83840045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).