2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine

C15H21N3O — CID 117163778

IUPAC2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
SMILESCC(C)n1c(CC2CCCCO2)nc2cccnc21
InChIInChI=1S/C15H21N3O/c1-11(2)18-14(10-12-6-3-4-9-19-12)17-13-7-5-8-16-15(13)18/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3
InChIKeyQJMLLCJSXWISDL-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.12
Rot. Bonds3

About 2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine

2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine (PubChem CID 117163778) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
PubChem CID117163778
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
SMILESCC(C)n1c(CC2CCCCO2)nc2cccnc21
InChIInChI=1S/C15H21N3O/c1-11(2)18-14(10-12-6-3-4-9-19-12)17-13-7-5-8-16-15(13)18/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3
InChIKeyQJMLLCJSXWISDL-UHFFFAOYSA-N
XLogP3.12
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742
2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117165795
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-(1-methylpiperidin-4-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163204
2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165741
2-[(3-propan-2-ylimidazo[4,5-b]pyridin-2-yl)methyl]thiolane 1,1-dioxide
CID 117163462
3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163366
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600
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

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine (CID 117163778) is 2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine is CC(C)n1c(CC2CCCCO2)nc2cccnc21.
What is the InChIKey of 2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine?
The InChIKey is QJMLLCJSXWISDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)18-14(10-12-6-3-4-9-19-12)17-13-7-5-8-16-15(13)18/h5,7-8,11-12H,3-4,6,9-10H2,1-2H3.
What are the key properties of 2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine?
2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine has a molecular weight of 259.35 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117163778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).