3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde

C14H17N3O — CID 117140967

IUPAC3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
SMILESCCN1CCC(c2ncc3cccc(C=O)n23)C1
InChIInChI=1S/C14H17N3O/c1-2-16-7-6-11(9-16)14-15-8-12-4-3-5-13(10-18)17(12)14/h3-5,8,10-11H,2,6-7,9H2,1H3
InChIKeyIUDREYXYANFVOU-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.96
Rot. Bonds3

About 3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde

3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 117140967) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
PubChem CID117140967
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
SMILESCCN1CCC(c2ncc3cccc(C=O)n23)C1
InChIInChI=1S/C14H17N3O/c1-2-16-7-6-11(9-16)14-15-8-12-4-3-5-13(10-18)17(12)14/h3-5,8,10-11H,2,6-7,9H2,1H3
InChIKeyIUDREYXYANFVOU-UHFFFAOYSA-N
XLogP1.96
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.96
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 3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde (CID 117140967) is 3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde is CCN1CCC(c2ncc3cccc(C=O)n23)C1.
What is the InChIKey of 3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is IUDREYXYANFVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-16-7-6-11(9-16)14-15-8-12-4-3-5-13(10-18)17(12)14/h3-5,8,10-11H,2,6-7,9H2,1H3.
What are the key properties of 3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde?
3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde has a molecular weight of 243.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrolidin-3-yl)imidazo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 117140967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).