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

C15H21N3O — CID 117160933

IUPAC3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)n1c(C2CCOCC2)nc2cccnc21
InChIInChI=1S/C15H21N3O/c1-15(2,3)18-13(11-6-9-19-10-7-11)17-12-5-4-8-16-14(12)18/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyGJAZOXMMDNYPNW-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.08
Rot. Bonds1

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

3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine (PubChem CID 117160933) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
PubChem CID117160933
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
SMILESCC(C)(C)n1c(C2CCOCC2)nc2cccnc21
InChIInChI=1S/C15H21N3O/c1-15(2,3)18-13(11-6-9-19-10-7-11)17-12-5-4-8-16-14(12)18/h4-5,8,11H,6-7,9-10H2,1-3H3
InChIKeyGJAZOXMMDNYPNW-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

3-cyclopropyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160990
2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117161034
2-(oxan-4-yl)-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117160752
3-tert-butyl-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162586
3-(1-methylpiperidin-3-yl)-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160734
3-cyclopropyl-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160562
2-(oxan-4-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160721
2-tert-butyl-3-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117166329
2-(oxan-4-yl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160831
3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160516
3-(5-methylthiophen-2-yl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160343
3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160038

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine (CID 117160933) is 3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine is CC(C)(C)n1c(C2CCOCC2)nc2cccnc21.
What is the InChIKey of 3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine?
The InChIKey is GJAZOXMMDNYPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-15(2,3)18-13(11-6-9-19-10-7-11)17-12-5-4-8-16-14(12)18/h4-5,8,11H,6-7,9-10H2,1-3H3.
What are the key properties of 3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine?
3-tert-butyl-2-(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 3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117160933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).