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

C15H14N4S — CID 117162481

IUPAC3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESc1cncc(-n2c(C3CCCS3)nc3cccnc32)c1
InChIInChI=1S/C15H14N4S/c1-4-11(10-16-7-1)19-14-12(5-2-8-17-14)18-15(19)13-6-3-9-20-13/h1-2,4-5,7-8,10,13H,3,6,9H2
InChIKeyWAAYHSUFIHMLJF-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.38
Rot. Bonds2

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

3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162481) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162481
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESc1cncc(-n2c(C3CCCS3)nc3cccnc32)c1
InChIInChI=1S/C15H14N4S/c1-4-11(10-16-7-1)19-14-12(5-2-8-17-14)18-15(19)13-6-3-9-20-13/h1-2,4-5,7-8,10,13H,3,6,9H2
InChIKeyWAAYHSUFIHMLJF-UHFFFAOYSA-N
XLogP3.38
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]phenol
CID 117163056
3-(3-fluorophenyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117163055
3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160375
3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162624
3-propan-2-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162583
3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162552
2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162166
3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162355
2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117160379
3-(1-ethylpiperidin-4-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162220
3-(oxolan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162242
3-[(2-fluorophenyl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162519

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (CID 117162481) is 3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is c1cncc(-n2c(C3CCCS3)nc3cccnc32)c1.
What is the InChIKey of 3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is WAAYHSUFIHMLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-4-11(10-16-7-1)19-14-12(5-2-8-17-14)18-15(19)13-6-3-9-20-13/h1-2,4-5,7-8,10,13H,3,6,9H2.
What are the key properties of 3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 282.37 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).