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

C17H17N3O — CID 117166577

IUPAC2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
SMILESCc1cccc(-c2nc3cccnc3n2C2CCOC2)c1
InChIInChI=1S/C17H17N3O/c1-12-4-2-5-13(10-12)16-19-15-6-3-8-18-17(15)20(16)14-7-9-21-11-14/h2-6,8,10,14H,7,9,11H2,1H3
InChIKeyZPCARFLOBPXVIC-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.37
Rot. Bonds2

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

2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117166577) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117166577
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
SMILESCc1cccc(-c2nc3cccnc3n2C2CCOC2)c1
InChIInChI=1S/C17H17N3O/c1-12-4-2-5-13(10-12)16-19-15-6-3-8-18-17(15)20(16)14-7-9-21-11-14/h2-6,8,10,14H,7,9,11H2,1H3
InChIKeyZPCARFLOBPXVIC-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine (CID 117166577) is 2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine is Cc1cccc(-c2nc3cccnc3n2C2CCOC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is ZPCARFLOBPXVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12-4-2-5-13(10-12)16-19-15-6-3-8-18-17(15)20(16)14-7-9-21-11-14/h2-6,8,10,14H,7,9,11H2,1H3.
What are the key properties of 2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine?
2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 279.34 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-3-(oxolan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117166577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).