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

C13H17N3S — CID 117160449

IUPAC3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
SMILESCCCn1c(C2CCSC2)nc2cccnc21
InChIInChI=1S/C13H17N3S/c1-2-7-16-12(10-5-8-17-9-10)15-11-4-3-6-14-13(11)16/h3-4,6,10H,2,5,7-9H2,1H3
InChIKeySEXOLFIESKKCGD-UHFFFAOYSA-N
MW247.37 g/mol
LogP3.06
Rot. Bonds3

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

3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117160449) has the molecular formula C13H17N3S and a molecular weight of 247.37 g/mol. Its IUPAC name is 3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117160449
Molecular FormulaC13H17N3S
Molecular Weight247.37 g/mol
Exact Mass247.11
IUPAC Name3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
SMILESCCCn1c(C2CCSC2)nc2cccnc21
InChIInChI=1S/C13H17N3S/c1-2-7-16-12(10-5-8-17-9-10)15-11-4-3-6-14-13(11)16/h3-4,6,10H,2,5,7-9H2,1H3
InChIKeySEXOLFIESKKCGD-UHFFFAOYSA-N
XLogP3.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160304
3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162552
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161816
2-(thian-3-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161914
3-propyl-2-[1-(thiophen-2-ylmethyl)pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 53191350
3-pyridin-3-yl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160375
2-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-3-yl]-3-propylimidazo[4,5-b]pyridine
CID 53191346
3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161893
(5-methylthiophen-2-yl)-[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 87054265
[3-(3-propylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 53191179

Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine (CID 117160449) is 3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine is CCCn1c(C2CCSC2)nc2cccnc21.
What is the InChIKey of 3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is SEXOLFIESKKCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3S/c1-2-7-16-12(10-5-8-17-9-10)15-11-4-3-6-14-13(11)16/h3-4,6,10H,2,5,7-9H2,1H3.
What are the key properties of 3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine?
3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 247.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-(thiolan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117160449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).