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

C27H25N3O3 — CID 23025763

IUPAC2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-(2-phenylethyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(Cc2nc3ncc(-c4ccco4)cc3n2CCc2ccccc2)cc1OC
InChIInChI=1S/C27H25N3O3/c1-31-24-11-10-20(15-25(24)32-2)16-26-29-27-22(17-21(18-28-27)23-9-6-14-33-23)30(26)13-12-19-7-4-3-5-8-19/h3-11,14-15,17-18H,12-13,16H2,1-2H3
InChIKeyVXZNQHBUURXEJO-UHFFFAOYSA-N
MW439.52 g/mol
LogP5.54
Rot. Bonds8

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

2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-(2-phenylethyl)imidazo[4,5-b]pyridine (PubChem CID 23025763) has the molecular formula C27H25N3O3 and a molecular weight of 439.52 g/mol. Its IUPAC name is 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-(2-phenylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-(2-phenylethyl)imidazo[4,5-b]pyridine
PubChem CID23025763
Molecular FormulaC27H25N3O3
Molecular Weight439.52 g/mol
Exact Mass439.19
IUPAC Name2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-(2-phenylethyl)imidazo[4,5-b]pyridine
SMILESCOc1ccc(Cc2nc3ncc(-c4ccco4)cc3n2CCc2ccccc2)cc1OC
InChIInChI=1S/C27H25N3O3/c1-31-24-11-10-20(15-25(24)32-2)16-26-29-27-22(17-21(18-28-27)23-9-6-14-33-23)30(26)13-12-19-7-4-3-5-8-19/h3-11,14-15,17-18H,12-13,16H2,1-2H3
InChIKeyVXZNQHBUURXEJO-UHFFFAOYSA-N
XLogP5.54
TPSA62.31 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.52
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-(2-phenylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-(2-phenylethyl)imidazo[4,5-b]pyridine (CID 23025763) is 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-(2-phenylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-(2-phenylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-(2-phenylethyl)imidazo[4,5-b]pyridine is COc1ccc(Cc2nc3ncc(-c4ccco4)cc3n2CCc2ccccc2)cc1OC.
What is the InChIKey of 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-(2-phenylethyl)imidazo[4,5-b]pyridine?
The InChIKey is VXZNQHBUURXEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O3/c1-31-24-11-10-20(15-25(24)32-2)16-26-29-27-22(17-21(18-28-27)23-9-6-14-33-23)30(26)13-12-19-7-4-3-5-8-19/h3-11,14-15,17-18H,12-13,16H2,1-2H3.
What are the key properties of 2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-(2-phenylethyl)imidazo[4,5-b]pyridine?
2-[(3,4-dimethoxyphenyl)methyl]-6-(furan-2-yl)-1-(2-phenylethyl)imidazo[4,5-b]pyridine has a molecular weight of 439.52 g/mol, XLogP of 5.54, 8 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-(2-phenylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 23025763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).