2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine

C20H19N3O3 — CID 23025916

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine
SMILESCOc1ccc(Cc2nc3ncc(-c4ccco4)cc3n2C)cc1OC
InChIInChI=1S/C20H19N3O3/c1-23-15-11-14(16-5-4-8-26-16)12-21-20(15)22-19(23)10-13-6-7-17(24-2)18(9-13)25-3/h4-9,11-12H,10H2,1-3H3
InChIKeyNSECDCRUBFNYIE-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.84
Rot. Bonds5

About 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine

2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine (PubChem CID 23025916) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine
PubChem CID23025916
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine
SMILESCOc1ccc(Cc2nc3ncc(-c4ccco4)cc3n2C)cc1OC
InChIInChI=1S/C20H19N3O3/c1-23-15-11-14(16-5-4-8-26-16)12-21-20(15)22-19(23)10-13-6-7-17(24-2)18(9-13)25-3/h4-9,11-12H,10H2,1-3H3
InChIKeyNSECDCRUBFNYIE-UHFFFAOYSA-N
XLogP3.84
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine (CID 23025916) is 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine is COc1ccc(Cc2nc3ncc(-c4ccco4)cc3n2C)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine?
The InChIKey is NSECDCRUBFNYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-23-15-11-14(16-5-4-8-26-16)12-21-20(15)22-19(23)10-13-6-7-17(24-2)18(9-13)25-3/h4-9,11-12H,10H2,1-3H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine?
2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine has a molecular weight of 349.39 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 23025916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).