ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate

C25H25N3O4 — CID 67059898

IUPACethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate
SMILESCCOC(=O)c1cccc(-c2ccc3ncn(CCc4ccc(OC)c(OC)c4)c3n2)c1
InChIInChI=1S/C25H25N3O4/c1-4-32-25(29)19-7-5-6-18(15-19)20-9-10-21-24(27-20)28(16-26-21)13-12-17-8-11-22(30-2)23(14-17)31-3/h5-11,14-16H,4,12-13H2,1-3H3
InChIKeyQAYQXXAEMUHTQK-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.53
Rot. Bonds8

About ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate

ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate (PubChem CID 67059898) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate.

Molecular Properties

Compound Nameethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate
PubChem CID67059898
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Nameethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate
SMILESCCOC(=O)c1cccc(-c2ccc3ncn(CCc4ccc(OC)c(OC)c4)c3n2)c1
InChIInChI=1S/C25H25N3O4/c1-4-32-25(29)19-7-5-6-18(15-19)20-9-10-21-24(27-20)28(16-26-21)13-12-17-8-11-22(30-2)23(14-17)31-3/h5-11,14-16H,4,12-13H2,1-3H3
InChIKeyQAYQXXAEMUHTQK-UHFFFAOYSA-N
XLogP4.53
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate 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 ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate?
The IUPAC name of ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate (CID 67059898) is ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate.
What is the SMILES notation for ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate?
The canonical SMILES for ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate is CCOC(=O)c1cccc(-c2ccc3ncn(CCc4ccc(OC)c(OC)c4)c3n2)c1.
What is the InChIKey of ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate?
The InChIKey is QAYQXXAEMUHTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-4-32-25(29)19-7-5-6-18(15-19)20-9-10-21-24(27-20)28(16-26-21)13-12-17-8-11-22(30-2)23(14-17)31-3/h5-11,14-16H,4,12-13H2,1-3H3.
What are the key properties of ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate?
ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate has a molecular weight of 431.49 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-[2-(3,4-dimethoxyphenyl)ethyl]imidazo[4,5-b]pyridin-5-yl]benzoate is sourced from PubChem (CID 67059898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).