2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol

C17H17N3OS — CID 117161394

IUPAC2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol
SMILESOc1ccccc1-n1c(CC2CCSC2)nc2cccnc21
InChIInChI=1S/C17H17N3OS/c21-15-6-2-1-5-14(15)20-16(10-12-7-9-22-11-12)19-13-4-3-8-18-17(13)20/h1-6,8,12,21H,7,9-11H2
InChIKeyXGNSJZSSIUCWMU-UHFFFAOYSA-N
MW311.41 g/mol
LogP3.42
Rot. Bonds3

About 2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol

2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol (PubChem CID 117161394) has the molecular formula C17H17N3OS and a molecular weight of 311.41 g/mol. Its IUPAC name is 2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol.

Molecular Properties

Compound Name2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol
PubChem CID117161394
Molecular FormulaC17H17N3OS
Molecular Weight311.41 g/mol
Exact Mass311.11
IUPAC Name2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol
SMILESOc1ccccc1-n1c(CC2CCSC2)nc2cccnc21
InChIInChI=1S/C17H17N3OS/c21-15-6-2-1-5-14(15)20-16(10-12-7-9-22-11-12)19-13-4-3-8-18-17(13)20/h1-6,8,12,21H,7,9-11H2
InChIKeyXGNSJZSSIUCWMU-UHFFFAOYSA-N
XLogP3.42
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol 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-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161736
3-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161041
3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
N,N-dimethyl-2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117161453
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
3-cyclopropyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164087
2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159822
3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161399
3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164076
3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161401
2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163643
3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163961

Frequently Asked Questions

What is the IUPAC name of 2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol?
The IUPAC name of 2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol (CID 117161394) is 2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol.
What is the SMILES notation for 2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol?
The canonical SMILES for 2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol is Oc1ccccc1-n1c(CC2CCSC2)nc2cccnc21.
What is the InChIKey of 2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol?
The InChIKey is XGNSJZSSIUCWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS/c21-15-6-2-1-5-14(15)20-16(10-12-7-9-22-11-12)19-13-4-3-8-18-17(13)20/h1-6,8,12,21H,7,9-11H2.
What are the key properties of 2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol?
2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol has a molecular weight of 311.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-3-yl]phenol is sourced from PubChem (CID 117161394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).