3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde

C12H12N2O3S — CID 117138519

IUPAC3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2cnc(C3CCCS3(=O)=O)n2c1
InChIInChI=1S/C12H12N2O3S/c15-8-9-3-4-10-6-13-12(14(10)7-9)11-2-1-5-18(11,16)17/h3-4,6-8,11H,1-2,5H2
InChIKeyYOWJGEAQFQDEPW-UHFFFAOYSA-N
MW264.31 g/mol
LogP1.40
Rot. Bonds2

About 3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde

3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde (PubChem CID 117138519) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde
PubChem CID117138519
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde
SMILESO=Cc1ccc2cnc(C3CCCS3(=O)=O)n2c1
InChIInChI=1S/C12H12N2O3S/c15-8-9-3-4-10-6-13-12(14(10)7-9)11-2-1-5-18(11,16)17/h3-4,6-8,11H,1-2,5H2
InChIKeyYOWJGEAQFQDEPW-UHFFFAOYSA-N
XLogP1.40
TPSA68.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde?
The IUPAC name of 3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde (CID 117138519) is 3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde.
What is the SMILES notation for 3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde?
The canonical SMILES for 3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde is O=Cc1ccc2cnc(C3CCCS3(=O)=O)n2c1.
What is the InChIKey of 3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde?
The InChIKey is YOWJGEAQFQDEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c15-8-9-3-4-10-6-13-12(14(10)7-9)11-2-1-5-18(11,16)17/h3-4,6-8,11H,1-2,5H2.
What are the key properties of 3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde?
3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde has a molecular weight of 264.31 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothiolan-2-yl)imidazo[1,5-a]pyridine-6-carbaldehyde is sourced from PubChem (CID 117138519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).