3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde

C12H8N2OS — CID 957617

IUPAC3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(-c2cccs2)n2ccccc12
InChIInChI=1S/C12H8N2OS/c15-8-9-10-4-1-2-6-14(10)12(13-9)11-5-3-7-16-11/h1-8H
InChIKeyQBMIPXXTUOFQGU-UHFFFAOYSA-N
MW228.28 g/mol
LogP2.88
Rot. Bonds2

About 3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde

3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde (PubChem CID 957617) has the molecular formula C12H8N2OS and a molecular weight of 228.28 g/mol. Its IUPAC name is 3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde.

Molecular Properties

Compound Name3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
PubChem CID957617
Molecular FormulaC12H8N2OS
Molecular Weight228.28 g/mol
Exact Mass228.04
IUPAC Name3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde
SMILESO=Cc1nc(-c2cccs2)n2ccccc12
InChIInChI=1S/C12H8N2OS/c15-8-9-10-4-1-2-6-14(10)12(13-9)11-5-3-7-16-11/h1-8H
InChIKeyQBMIPXXTUOFQGU-UHFFFAOYSA-N
XLogP2.88
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine
CID 139262364
3-(3,4-difluorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 82483282
CID 89207227
CID 89207227
3-(5-bromo-2-fluorophenyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 116836651
3-(3-aminopropyl)imidazo[1,5-a]pyridine-1-carbaldehyde
CID 84760068
3-cyclobutylimidazo[1,5-a]pyridine-1-carbaldehyde
CID 83831717
3-[2-(4-fluorophenyl)ethyl]imidazo[1,5-a]pyridine-1-carbaldehyde
CID 28752029
7-bromo-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84744734
1-methyl-2-thiophen-2-ylbenzimidazole
CID 931177
8-amino-3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117252334
3-thiophen-2-ylpyridine-2-carbaldehyde
CID 86594751
2-methyl-3-(thiophene-2-carbonyl)indolizine-1-carbaldehyde
CID 2121152

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The IUPAC name of 3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde (CID 957617) is 3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde.
What is the SMILES notation for 3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The canonical SMILES for 3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde is O=Cc1nc(-c2cccs2)n2ccccc12.
What is the InChIKey of 3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
The InChIKey is QBMIPXXTUOFQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2OS/c15-8-9-10-4-1-2-6-14(10)12(13-9)11-5-3-7-16-11/h1-8H.
What are the key properties of 3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde?
3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde has a molecular weight of 228.28 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-ylimidazo[1,5-a]pyridine-1-carbaldehyde is sourced from PubChem (CID 957617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).