3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde

C14H14N2O2 — CID 117046648

IUPAC3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde
SMILESO=Cc1cccc(OC2CCCn3cncc32)c1
InChIInChI=1S/C14H14N2O2/c17-9-11-3-1-4-12(7-11)18-14-5-2-6-16-10-15-8-13(14)16/h1,3-4,7-10,14H,2,5-6H2
InChIKeyQCMQTSDPKJNRBD-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.61
Rot. Bonds3

About 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde

3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde (PubChem CID 117046648) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde.

Molecular Properties

Compound Name3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde
PubChem CID117046648
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde
SMILESO=Cc1cccc(OC2CCCn3cncc32)c1
InChIInChI=1S/C14H14N2O2/c17-9-11-3-1-4-12(7-11)18-14-5-2-6-16-10-15-8-13(14)16/h1,3-4,7-10,14H,2,5-6H2
InChIKeyQCMQTSDPKJNRBD-UHFFFAOYSA-N
XLogP2.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-methylpyrrolidin-2-yl)methoxy]benzaldehyde
CID 117051893
3-(oxetan-3-yloxy)benzaldehyde
CID 83482101
3-(cyclobutylmethoxy)benzaldehyde
CID 58027526
3-(cycloheptylmethoxy)benzaldehyde
CID 86637613
3-pyrrolidin-3-yloxybenzaldehyde
CID 87190134
3-[[(2S)-oxan-2-yl]methoxy]benzaldehyde
CID 93037571
3-(3,5-dimethylcyclohexyl)oxybenzaldehyde
CID 64736330
(3-formylphenyl) formate
CID 58195323
3-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propoxy]benzaldehyde
CID 99991988
4-(5-pyridin-3-yloxy-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)benzaldehyde
CID 143576095
3-[6-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-2-pyridinyl]benzaldehyde
CID 121284214
3-[4-[(2R,6R)-2,6-dimethylpiperidin-1-yl]butoxy]benzaldehyde
CID 99992136

Frequently Asked Questions

What is the IUPAC name of 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde?
The IUPAC name of 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde (CID 117046648) is 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde.
What is the SMILES notation for 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde?
The canonical SMILES for 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde is O=Cc1cccc(OC2CCCn3cncc32)c1.
What is the InChIKey of 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde?
The InChIKey is QCMQTSDPKJNRBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-9-11-3-1-4-12(7-11)18-14-5-2-6-16-10-15-8-13(14)16/h1,3-4,7-10,14H,2,5-6H2.
What are the key properties of 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde?
3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde has a molecular weight of 242.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-yloxy)benzaldehyde is sourced from PubChem (CID 117046648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).