3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde

C15H19N3O — CID 117145945

IUPAC3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde
SMILESCCN1CCC(c2ncc3c(C=O)cccn23)CC1
InChIInChI=1S/C15H19N3O/c1-2-17-8-5-12(6-9-17)15-16-10-14-13(11-19)4-3-7-18(14)15/h3-4,7,10-12H,2,5-6,8-9H2,1H3
InChIKeyVVZTUGQBWSOFEZ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.35
Rot. Bonds3

About 3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde

3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde (PubChem CID 117145945) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde
PubChem CID117145945
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde
SMILESCCN1CCC(c2ncc3c(C=O)cccn23)CC1
InChIInChI=1S/C15H19N3O/c1-2-17-8-5-12(6-9-17)15-16-10-14-13(11-19)4-3-7-18(14)15/h3-4,7,10-12H,2,5-6,8-9H2,1H3
InChIKeyVVZTUGQBWSOFEZ-UHFFFAOYSA-N
XLogP2.35
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
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 3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde (CID 117145945) is 3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde is CCN1CCC(c2ncc3c(C=O)cccn23)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde?
The InChIKey is VVZTUGQBWSOFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-17-8-5-12(6-9-17)15-16-10-14-13(11-19)4-3-7-18(14)15/h3-4,7,10-12H,2,5-6,8-9H2,1H3.
What are the key properties of 3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde?
3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde has a molecular weight of 257.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 117145945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).