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

C13H17N3O — CID 117162008

IUPAC3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine
SMILESCCn1c(C2CCCOC2)nc2cccnc21
InChIInChI=1S/C13H17N3O/c1-2-16-12(10-5-4-8-17-9-10)15-11-6-3-7-14-13(11)16/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyHTACSHBRWQAZTD-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.35
Rot. Bonds2

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

3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117162008) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117162008
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine
SMILESCCn1c(C2CCCOC2)nc2cccnc21
InChIInChI=1S/C13H17N3O/c1-2-16-12(10-5-4-8-17-9-10)15-11-6-3-7-14-13(11)16/h3,6-7,10H,2,4-5,8-9H2,1H3
InChIKeyHTACSHBRWQAZTD-UHFFFAOYSA-N
XLogP2.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161912
2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161927
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161911
2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161910
3-ethyl-2-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162543
3-(1-ethylpyrrolidin-3-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161767
3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164016
3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161793
3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160038
2-(oxolan-3-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160160
3-(5-chlorofuran-2-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161953
2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161818

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine (CID 117162008) is 3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine is CCn1c(C2CCCOC2)nc2cccnc21.
What is the InChIKey of 3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is HTACSHBRWQAZTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-16-12(10-5-4-8-17-9-10)15-11-6-3-7-14-13(11)16/h3,6-7,10H,2,4-5,8-9H2,1H3.
What are the key properties of 3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine?
3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 231.30 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).