4-(3,4,5-trimethoxyphenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine|4-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine|4-(3,4,5-trimethoxyphenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyrid...

General Information

Structure

Molecular Formula

C₁₅H₁₉N₃O₃

Molecular Mass

289.32966

Exact Mass

289.14264148

Charge

InChI

InChI=1S/C15H19N3O3/c1-19-11-6-9(7-12(20-2)15(11)21-3)13-14-10(4-5-16-13)17-8-18-14/h6-8,13,16H,4-5H2,1-3H3,(H,17,18)

InChIKey

VYKDKBZUOBCVTK-UHFFFAOYSA-N

Canonic Smiles

COc1cc(cc(c1OC)OC)C1NCCc2c1[nH]cn2

Isomeric Smiles

c12C(c3cc(c(c(c3)OC)OC)OC)NCCc1nc[nH]2

Calculated Properties

JChem

Acid pKa

13.559912

H Acceptors

H Donor

LogD (pH = 5.5)

-1.2649456

LogD (pH = 7.4)

0.39659896

Log P

0.71406406

Molar Refractivity

78.5425

Polarizability

30.541224

Polar Surface Area

68.4

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

4-(3,4,5-trimethoxyphenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

Synonyms

4-(3,4,5-trimethoxyphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine

IUPAC Traditional name

4-(3,4,5-trimethoxyphenyl)-3H,4H,5H,6H,7H-imidazo[4,5-c]pyridine

Names and Identifiers

Registration numbers

PubChem CID

15502872

PubChem SID

162108092

Registration numbers

Properties

Product Information

Classification

Derivatives & analogs of Natural Compounds

Properties

Related Proteins

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Molecular Spectra

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Molecule Details

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References

PubChem Literature

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:119740