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

C15H21N3O — CID 117166329

IUPAC2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)c1nc2cccnc2n1C1CCOCC1
InChIInChI=1S/C15H21N3O/c1-15(2,3)14-17-12-5-4-8-16-13(12)18(14)11-6-9-19-10-7-11/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyYXEXETKDLZEWMP-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.08
Rot. Bonds1

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

2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine (PubChem CID 117166329) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine
PubChem CID117166329
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)c1nc2cccnc2n1C1CCOCC1
InChIInChI=1S/C15H21N3O/c1-15(2,3)14-17-12-5-4-8-16-13(12)18(14)11-6-9-19-10-7-11/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyYXEXETKDLZEWMP-UHFFFAOYSA-N
XLogP3.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117166366
3-cyclopropyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160990
2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)-2-methylpropan-1-amine
CID 83858282
3-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159557
3-cyclopropyl-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160562
2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117166391
2-(5-chlorofuran-2-yl)-3-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117164183
3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160933
3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161522
2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117166577
3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160734
3-cyclobutyl-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161425

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine (CID 117166329) is 2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine is CC(C)(C)c1nc2cccnc2n1C1CCOCC1.
What is the InChIKey of 2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine?
The InChIKey is YXEXETKDLZEWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,3)14-17-12-5-4-8-16-13(12)18(14)11-6-9-19-10-7-11/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of 2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine?
2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine has a molecular weight of 259.35 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117166329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).