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

C15H14N4S — CID 117160375

IUPAC3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
SMILESc1cncc(-n2c(C3CCSC3)nc3cccnc32)c1
InChIInChI=1S/C15H14N4S/c1-3-12(9-16-6-1)19-14(11-5-8-20-10-11)18-13-4-2-7-17-15(13)19/h1-4,6-7,9,11H,5,8,10H2
InChIKeyYWBCSEMYCCLHKA-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.04
Rot. Bonds2

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

3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117160375) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117160375
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
SMILESc1cncc(-n2c(C3CCSC3)nc3cccnc32)c1
InChIInChI=1S/C15H14N4S/c1-3-12(9-16-6-1)19-14(11-5-8-20-10-11)18-13-4-2-7-17-15(13)19/h1-4,6-7,9,11H,5,8,10H2
InChIKeyYWBCSEMYCCLHKA-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyridin-3-yl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162481
3-(4-methylphenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
CID 117160981
3-(4-fluorophenyl)-2-(thian-4-yl)imidazo[4,5-b]pyridine
CID 117160982
2-(1-propan-2-ylpyrrolidin-3-yl)-3-pyridin-3-ylimidazo[4,5-b]pyridine
CID 117160379
3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160449
3-[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117160041
4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117160431
3-(5-methylfuran-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161959
3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160304
2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117161034
3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161893
2-(thian-3-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161914

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine (CID 117160375) is 3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine is c1cncc(-n2c(C3CCSC3)nc3cccnc32)c1.
What is the InChIKey of 3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is YWBCSEMYCCLHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-3-12(9-16-6-1)19-14(11-5-8-20-10-11)18-13-4-2-7-17-15(13)19/h1-4,6-7,9,11H,5,8,10H2.
What are the key properties of 3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine?
3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 282.37 g/mol, XLogP of 3.04, 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-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117160375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).