ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate

C18H17ClN4O3 — CID 14390235

IUPACethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C18H17ClN4O3/c1-2-26-16(25)10-21-15(24)11-23-17(12-5-7-13(19)8-6-12)22-14-4-3-9-20-18(14)23/h3-9H,2,10-11H2,1H3,(H,21,24)
InChIKeyHUWVKZVLNZAENJ-UHFFFAOYSA-N
MW372.81 g/mol
LogP2.43
Rot. Bonds6

About ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate

ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate (PubChem CID 14390235) has the molecular formula C18H17ClN4O3 and a molecular weight of 372.81 g/mol. Its IUPAC name is ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate
PubChem CID14390235
Molecular FormulaC18H17ClN4O3
Molecular Weight372.81 g/mol
Exact Mass372.10
IUPAC Nameethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21
InChIInChI=1S/C18H17ClN4O3/c1-2-26-16(25)10-21-15(24)11-23-17(12-5-7-13(19)8-6-12)22-14-4-3-9-20-18(14)23/h3-9H,2,10-11H2,1H3,(H,21,24)
InChIKeyHUWVKZVLNZAENJ-UHFFFAOYSA-N
XLogP2.43
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate 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-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate (CID 14390235) is ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate is CCOC(=O)CNC(=O)Cn1c(-c2ccc(Cl)cc2)nc2cccnc21.
What is the InChIKey of ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate?
The InChIKey is HUWVKZVLNZAENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3/c1-2-26-16(25)10-21-15(24)11-23-17(12-5-7-13(19)8-6-12)22-14-4-3-9-20-18(14)23/h3-9H,2,10-11H2,1H3,(H,21,24).
What are the key properties of ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate?
ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate has a molecular weight of 372.81 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]acetyl]amino]acetate is sourced from PubChem (CID 14390235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).