3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine

C22H14N4S2Se — CID 139262364

IUPAC3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine
SMILESc1csc(-c2nc([Se]c3nc(-c4cccs4)n4ccccc34)c3ccccn23)c1
InChIInChI=1S/C22H14N4S2Se/c1-3-11-25-15(7-1)21(23-19(25)17-9-5-13-27-17)29-22-16-8-2-4-12-26(16)20(24-22)18-10-6-14-28-18/h1-14H
InChIKeyMDHHAHCSYFKIKF-UHFFFAOYSA-N
MW477.48 g/mol
LogP4.09
Rot. Bonds4

About 3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine

3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine (PubChem CID 139262364) has the molecular formula C22H14N4S2Se and a molecular weight of 477.48 g/mol. Its IUPAC name is 3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine
PubChem CID139262364
Molecular FormulaC22H14N4S2Se
Molecular Weight477.48 g/mol
Exact Mass477.98
IUPAC Name3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine
SMILESc1csc(-c2nc([Se]c3nc(-c4cccs4)n4ccccc34)c3ccccn23)c1
InChIInChI=1S/C22H14N4S2Se/c1-3-11-25-15(7-1)21(23-19(25)17-9-5-13-27-17)29-22-16-8-2-4-12-26(16)20(24-22)18-10-6-14-28-18/h1-14H
InChIKeyMDHHAHCSYFKIKF-UHFFFAOYSA-N
XLogP4.09
TPSA34.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.48
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine 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-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine?
The IUPAC name of 3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine (CID 139262364) is 3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine.
What is the SMILES notation for 3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine?
The canonical SMILES for 3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine is c1csc(-c2nc([Se]c3nc(-c4cccs4)n4ccccc34)c3ccccn23)c1.
What is the InChIKey of 3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine?
The InChIKey is MDHHAHCSYFKIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14N4S2Se/c1-3-11-25-15(7-1)21(23-19(25)17-9-5-13-27-17)29-22-16-8-2-4-12-26(16)20(24-22)18-10-6-14-28-18/h1-14H.
What are the key properties of 3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine?
3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine has a molecular weight of 477.48 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-1-(3-thiophen-2-ylimidazo[1,5-a]pyridin-1-yl)selanylimidazo[1,5-a]pyridine is sourced from PubChem (CID 139262364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).