3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde

C14H14N2O — CID 83839854

IUPAC3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
SMILESO=CC1CCCn2c1cnc2-c1ccccc1
InChIInChI=1S/C14H14N2O/c17-10-12-7-4-8-16-13(12)9-15-14(16)11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2
InChIKeyWFZXAJQBZZMPSJ-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.63
Rot. Bonds2

About 3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde

3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde (PubChem CID 83839854) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde.

Molecular Properties

Compound Name3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
PubChem CID83839854
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde
SMILESO=CC1CCCn2c1cnc2-c1ccccc1
InChIInChI=1S/C14H14N2O/c17-10-12-7-4-8-16-13(12)9-15-14(16)11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2
InChIKeyWFZXAJQBZZMPSJ-UHFFFAOYSA-N
XLogP2.63
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.63
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-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
The IUPAC name of 3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde (CID 83839854) is 3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde.
What is the SMILES notation for 3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
The canonical SMILES for 3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde is O=CC1CCCn2c1cnc2-c1ccccc1.
What is the InChIKey of 3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
The InChIKey is WFZXAJQBZZMPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c17-10-12-7-4-8-16-13(12)9-15-14(16)11-5-2-1-3-6-11/h1-3,5-6,9-10,12H,4,7-8H2.
What are the key properties of 3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde?
3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde has a molecular weight of 226.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-8-carbaldehyde is sourced from PubChem (CID 83839854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).