3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde

C16H14N2O3 — CID 28752017

IUPAC3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCOc1cc(OC)cc(-c2nc(C=O)c3ccccn23)c1
InChIInChI=1S/C16H14N2O3/c1-20-12-7-11(8-13(9-12)21-2)16-17-14(10-19)15-5-3-4-6-18(15)16/h3-10H,1-2H3
InChIKeyUXPZTNRZULJQTG-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.83
Rot. Bonds4

About 3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde

3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 28752017) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID28752017
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
SMILESCOc1cc(OC)cc(-c2nc(C=O)c3ccccn23)c1
InChIInChI=1S/C16H14N2O3/c1-20-12-7-11(8-13(9-12)21-2)16-17-14(10-19)15-5-3-4-6-18(15)16/h3-10H,1-2H3
InChIKeyUXPZTNRZULJQTG-UHFFFAOYSA-N
XLogP2.83
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methanamine
CID 28752221
3-(3,4-difluorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 82483282
7-bromo-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84744943
3-(4-methoxyphenyl)-1-[[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]diselanyl]imidazo[1,5-a]pyridine
CID 139262366
1-chloro-3-(4-methoxyphenyl)imidazo[1,5-a]pyridine
CID 117250855
2-(4-methoxyphenyl)-3-methylindolizine-1-carbaldehyde
CID 56693792
3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 957617
N-[[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]methyl]ethanamine
CID 84760214
CID 89207227
CID 89207227
3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 116836651
1-bromo-3-(3,5-dimethoxyphenyl)-7-methylimidazo[1,5-a]pyridine
CID 84745418
2-[3-(4-methoxyphenyl)imidazo[1,5-a]pyridin-1-yl]ethynyl-trimethylsilane
CID 53469313

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde (CID 28752017) is 3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde is COc1cc(OC)cc(-c2nc(C=O)c3ccccn23)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is UXPZTNRZULJQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-12-7-11(8-13(9-12)21-2)16-17-14(10-19)15-5-3-4-6-18(15)16/h3-10H,1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde?
3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 282.30 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)imidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 28752017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).