3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine

C17H17N3O — CID 117160516

IUPAC3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
SMILESCc1ccccc1-n1c(C2CCOC2)nc2cccnc21
InChIInChI=1S/C17H17N3O/c1-12-5-2-3-7-15(12)20-16(13-8-10-21-11-13)19-14-6-4-9-18-17(14)20/h2-7,9,13H,8,10-11H2,1H3
InChIKeyZNYFDZXXPLFCDZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.23
Rot. Bonds2

About 3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine

3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117160516) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117160516
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
SMILESCc1ccccc1-n1c(C2CCOC2)nc2cccnc21
InChIInChI=1S/C17H17N3O/c1-12-5-2-3-7-15(12)20-16(13-8-10-21-11-13)19-14-6-4-9-18-17(14)20/h2-7,9,13H,8,10-11H2,1H3
InChIKeyZNYFDZXXPLFCDZ-UHFFFAOYSA-N
XLogP3.23
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-methylthiophen-2-yl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160343
3-cyclopropyl-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160562
3-(2-methylphenyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162624
3-(3-chlorophenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160489
2-(1-ethylpyrrolidin-2-yl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 117162638
2-(oxan-4-yl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117161034
3-(5-chlorofuran-2-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161953
3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160038
3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117162008
2-(oxolan-3-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160160
3-cyclopropyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160990
3-tert-butyl-2-(oxan-4-yl)imidazo[4,5-b]pyridine
CID 117160933

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine (CID 117160516) is 3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine is Cc1ccccc1-n1c(C2CCOC2)nc2cccnc21.
What is the InChIKey of 3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is ZNYFDZXXPLFCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-5-2-3-7-15(12)20-16(13-8-10-21-11-13)19-14-6-4-9-18-17(14)20/h2-7,9,13H,8,10-11H2,1H3.
What are the key properties of 3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine?
3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 279.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117160516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).