2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine

C15H19N3OS — CID 117160752

IUPAC2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCOCC1)n2C1CCCS1
InChIInChI=1S/C15H19N3OS/c1-3-12-15(16-7-1)18(13-4-2-10-20-13)14(17-12)11-5-8-19-9-6-11/h1,3,7,11,13H,2,4-6,8-10H2
InChIKeyAIUJXCQLMVWQJE-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.35
Rot. Bonds2

About 2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine

2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117160752) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is 2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117160752
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCOCC1)n2C1CCCS1
InChIInChI=1S/C15H19N3OS/c1-3-12-15(16-7-1)18(13-4-2-10-20-13)14(17-12)11-5-8-19-9-6-11/h1,3,7,11,13H,2,4-6,8-10H2
InChIKeyAIUJXCQLMVWQJE-UHFFFAOYSA-N
XLogP3.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine 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

3-cyclopropyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160990
3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162355
3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160933
3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160734
3-cyclopropyl-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160562
3-(oxolan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162242
2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117161034
2-[3-(thian-2-yl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159877
3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162430
3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161893
2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117164957
2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117163675

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine (CID 117160752) is 2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(C1CCOCC1)n2C1CCCS1.
What is the InChIKey of 2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is AIUJXCQLMVWQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-12-15(16-7-1)18(13-4-2-10-20-13)14(17-12)11-5-8-19-9-6-11/h1,3,7,11,13H,2,4-6,8-10H2.
What are the key properties of 2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine?
2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 289.40 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117160752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).