3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde

C16H14N2O — CID 117143633

IUPAC3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde
SMILESCc1cccc(Cc2ncc3cc(C=O)ccn23)c1
InChIInChI=1S/C16H14N2O/c1-12-3-2-4-13(7-12)9-16-17-10-15-8-14(11-19)5-6-18(15)16/h2-8,10-11H,9H2,1H3
InChIKeyQAURINRSJLNMTM-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.05
Rot. Bonds3

About 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde

3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde (PubChem CID 117143633) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde
PubChem CID117143633
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde
SMILESCc1cccc(Cc2ncc3cc(C=O)ccn23)c1
InChIInChI=1S/C16H14N2O/c1-12-3-2-4-13(7-12)9-16-17-10-15-8-14(11-19)5-6-18(15)16/h2-8,10-11H,9H2,1H3
InChIKeyQAURINRSJLNMTM-UHFFFAOYSA-N
XLogP3.05
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-methoxy-3-[(3-methoxyphenyl)methyl]imidazo[1,5-a]pyridine
CID 117143075
3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140304
3-(3-hydroxyphenyl)imidazo[1,5-a]pyridine-7-carbaldehyde
CID 84736718
3-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde
CID 117143521
3-[(3-chlorophenyl)methyl]imidazo[1,5-a]pyridine
CID 117139524
3-[(3-fluorophenyl)methyl]imidazo[1,5-a]pyridine
CID 117139523
1-[(3-methylphenyl)methyl]indole-6-carbaldehyde
CID 17221168
3-cyclopropylimidazo[1,5-a]pyridine-7-carbaldehyde
CID 83828916
7-methyl-3-[[2-(trifluoromethyl)phenyl]methyl]imidazo[1,5-a]pyridine
CID 117144494
5-[(3-methylphenyl)methoxy]pyridine-2-carbaldehyde
CID 79794315
3-cyclobutylimidazo[1,5-a]pyridine-7-carbaldehyde
CID 83831720
3-[2-(4-methyl-2-pyridinyl)ethyl]benzaldehyde
CID 121300992

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde?
The IUPAC name of 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde (CID 117143633) is 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde?
The canonical SMILES for 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde is Cc1cccc(Cc2ncc3cc(C=O)ccn23)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde?
The InChIKey is QAURINRSJLNMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-3-2-4-13(7-12)9-16-17-10-15-8-14(11-19)5-6-18(15)16/h2-8,10-11H,9H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde?
3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde has a molecular weight of 250.30 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]imidazo[1,5-a]pyridine-7-carbaldehyde is sourced from PubChem (CID 117143633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).