3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde

C13H10N2OS — CID 117141200

IUPAC3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2cnc(Cc3cccs3)n12
InChIInChI=1S/C13H10N2OS/c16-9-11-4-1-3-10-8-14-13(15(10)11)7-12-5-2-6-17-12/h1-6,8-9H,7H2
InChIKeyXURJALGDBGRUDZ-UHFFFAOYSA-N
MW242.30 g/mol
LogP2.80
Rot. Bonds3

About 3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde

3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde (PubChem CID 117141200) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde
PubChem CID117141200
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde
SMILESO=Cc1cccc2cnc(Cc3cccs3)n12
InChIInChI=1S/C13H10N2OS/c16-9-11-4-1-3-10-8-14-13(15(10)11)7-12-5-2-6-17-12/h1-6,8-9H,7H2
InChIKeyXURJALGDBGRUDZ-UHFFFAOYSA-N
XLogP2.80
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde 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

5-chloro-3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine
CID 117142407
1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
CID 11137952
5-chloro-1-methyl-2-(thiophen-2-ylmethyl)imidazole
CID 117259295
3-(5-chlorothiophen-2-yl)imidazo[1,5-a]pyridine-5-carbaldehyde
CID 117141103
3-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbaldehyde
CID 117138683
3-(thiophen-2-ylmethyl)benzaldehyde
CID 154360412
5-chloro-1-(thiophen-2-ylmethyl)pyrrole-2-carbaldehyde
CID 118416902
6-methyl-3-(thiophen-2-ylmethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
CID 117149200
2-chloro-5-(thiophen-2-ylmethyl)pyridine
CID 20981421
3-[(4-methylphenyl)methyl]imidazo[1,5-a]pyridine-5-carboxylic acid
CID 117142785
2-(thiophen-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carbaldehyde
CID 115003848
[1-(thiophen-2-ylmethyl)imidazol-2-yl] formate
CID 88666996

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde?
The IUPAC name of 3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde (CID 117141200) is 3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde?
The canonical SMILES for 3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde is O=Cc1cccc2cnc(Cc3cccs3)n12.
What is the InChIKey of 3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde?
The InChIKey is XURJALGDBGRUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c16-9-11-4-1-3-10-8-14-13(15(10)11)7-12-5-2-6-17-12/h1-6,8-9H,7H2.
What are the key properties of 3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde?
3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde has a molecular weight of 242.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)imidazo[1,5-a]pyridine-5-carbaldehyde is sourced from PubChem (CID 117141200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).