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

C14H19N3O — CID 117163742

IUPAC3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCCn1c(CC2CCCCO2)nc2cccnc21
InChIInChI=1S/C14H19N3O/c1-2-17-13(10-11-6-3-4-9-18-11)16-12-7-5-8-15-14(12)17/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyNAPCYUJJCXLTIW-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.56
Rot. Bonds3

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

3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163742) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163742
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCCn1c(CC2CCCCO2)nc2cccnc21
InChIInChI=1S/C14H19N3O/c1-2-17-13(10-11-6-3-4-9-18-11)16-12-7-5-8-15-14(12)17/h5,7-8,11H,2-4,6,9-10H2,1H3
InChIKeyNAPCYUJJCXLTIW-UHFFFAOYSA-N
XLogP2.56
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
CID 117163778
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163638
2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163696
2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163159
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600
3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164016
3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163565
2-(oxolan-2-ylmethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117163243
3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163403
2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117165795
3-(1-ethylpiperidin-3-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163257
3-(1-methylpiperidin-4-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163204

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117163742) is 3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine is CCn1c(CC2CCCCO2)nc2cccnc21.
What is the InChIKey of 3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is NAPCYUJJCXLTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-17-13(10-11-6-3-4-9-18-11)16-12-7-5-8-15-14(12)17/h5,7-8,11H,2-4,6,9-10H2,1H3.
What are the key properties of 3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 245.33 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).