3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde

C14H17N3O — CID 117143549

IUPAC3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde
SMILESCCN1CCCC1c1ncc2cc(C=O)ccn12
InChIInChI=1S/C14H17N3O/c1-2-16-6-3-4-13(16)14-15-9-12-8-11(10-18)5-7-17(12)14/h5,7-10,13H,2-4,6H2,1H3
InChIKeyVEXKDIHBVBFXRK-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.30
Rot. Bonds3

About 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde

3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde (PubChem CID 117143549) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde
PubChem CID117143549
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde
SMILESCCN1CCCC1c1ncc2cc(C=O)ccn12
InChIInChI=1S/C14H17N3O/c1-2-16-6-3-4-13(16)14-15-9-12-8-11(10-18)5-7-17(12)14/h5,7-10,13H,2-4,6H2,1H3
InChIKeyVEXKDIHBVBFXRK-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
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-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde?
The IUPAC name of 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde (CID 117143549) is 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde?
The canonical SMILES for 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde is CCN1CCCC1c1ncc2cc(C=O)ccn12.
What is the InChIKey of 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde?
The InChIKey is VEXKDIHBVBFXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-16-6-3-4-13(16)14-15-9-12-8-11(10-18)5-7-17(12)14/h5,7-10,13H,2-4,6H2,1H3.
What are the key properties of 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde?
3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde has a molecular weight of 243.31 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrrolidin-2-yl)imidazo[1,5-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 117143549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).