ethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride

C17H17Cl2N3O2 — CID 70414288

IUPACethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride
SMILESCCOC(=O)C(Cn1cnc2cccnc21)c1ccccc1Cl.Cl
InChIInChI=1S/C17H16ClN3O2.ClH/c1-2-23-17(22)13(12-6-3-4-7-14(12)18)10-21-11-20-15-8-5-9-19-16(15)21;/h3-9,11,13H,2,10H2,1H3;1H
InChIKeyDBPXUCSLSGJNFL-UHFFFAOYSA-N
MW366.25 g/mol
LogP3.85
Rot. Bonds5

About ethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride

ethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride (PubChem CID 70414288) has the molecular formula C17H17Cl2N3O2 and a molecular weight of 366.25 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride
PubChem CID70414288
Molecular FormulaC17H17Cl2N3O2
Molecular Weight366.25 g/mol
Exact Mass365.07
IUPAC Nameethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride
SMILESCCOC(=O)C(Cn1cnc2cccnc21)c1ccccc1Cl.Cl
InChIInChI=1S/C17H16ClN3O2.ClH/c1-2-23-17(22)13(12-6-3-4-7-14(12)18)10-21-11-20-15-8-5-9-19-16(15)21;/h3-9,11,13H,2,10H2,1H3;1H
InChIKeyDBPXUCSLSGJNFL-UHFFFAOYSA-N
XLogP3.85
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride 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 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride?
The IUPAC name of ethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride (CID 70414288) is ethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride is CCOC(=O)C(Cn1cnc2cccnc21)c1ccccc1Cl.Cl.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride?
The InChIKey is DBPXUCSLSGJNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2.ClH/c1-2-23-17(22)13(12-6-3-4-7-14(12)18)10-21-11-20-15-8-5-9-19-16(15)21;/h3-9,11,13H,2,10H2,1H3;1H.
What are the key properties of ethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride?
ethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride has a molecular weight of 366.25 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride is sourced from PubChem (CID 70414288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).