3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine

C17H19N3O2 — CID 117159751

IUPAC3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
SMILESCOCCCc1nc2cccnc2n1-c1ccccc1OC
InChIInChI=1S/C17H19N3O2/c1-21-12-6-10-16-19-13-7-5-11-18-17(13)20(16)14-8-3-4-9-15(14)22-2/h3-5,7-9,11H,6,10,12H2,1-2H3
InChIKeyUTNAVJCVBGJXLC-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.01
Rot. Bonds6

About 3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine

3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine (PubChem CID 117159751) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
PubChem CID117159751
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
SMILESCOCCCc1nc2cccnc2n1-c1ccccc1OC
InChIInChI=1S/C17H19N3O2/c1-21-12-6-10-16-19-13-7-5-11-18-17(13)20(16)14-8-3-4-9-15(14)22-2/h3-5,7-9,11H,6,10,12H2,1-2H3
InChIKeyUTNAVJCVBGJXLC-UHFFFAOYSA-N
XLogP3.01
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine (CID 117159751) is 3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine is COCCCc1nc2cccnc2n1-c1ccccc1OC.
What is the InChIKey of 3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine?
The InChIKey is UTNAVJCVBGJXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-21-12-6-10-16-19-13-7-5-11-18-17(13)20(16)14-8-3-4-9-15(14)22-2/h3-5,7-9,11H,6,10,12H2,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine?
3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine has a molecular weight of 297.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117159751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).