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

C17H16ClN3O2 — CID 54217062

IUPACethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate
SMILESCCOC(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccc(C)nc21
InChIInChI=1S/C17H16ClN3O2/c1-3-23-15(22)10-21-16(12-5-7-13(18)8-6-12)20-14-9-4-11(2)19-17(14)21/h4-9H,3,10H2,1-2H3
InChIKeyPZYGKYBWFYQOAJ-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.62
Rot. Bonds4

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

ethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate (PubChem CID 54217062) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is ethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate
PubChem CID54217062
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Nameethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate
SMILESCCOC(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccc(C)nc21
InChIInChI=1S/C17H16ClN3O2/c1-3-23-15(22)10-21-16(12-5-7-13(18)8-6-12)20-14-9-4-11(2)19-17(14)21/h4-9H,3,10H2,1-2H3
InChIKeyPZYGKYBWFYQOAJ-UHFFFAOYSA-N
XLogP3.62
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-((4-chlorophenyl)methyl)-1H-1,3-benzodiazol-2-yl)methanol
CID 743896
Cdmip
CID 195273
Ethyl 6H-indolo(2,3-b)quinoxaline-6-acetate
CID 645300
6-Chloro-2-(4-chlorophenyl)-3-(morpholinomethyl)imidazo[1,2-a]pyridine
CID 3802200
1-[4-Amino-7-chloro-2-(ethoxymethyl)imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol
CID 10089136
2-(4-Chlorophenyl)-N,N-dipropyl-3H-imidazo[4,5-b]pyridine-3-acetamide
CID 14390227
2-(4-Chlorophenyl)-N,N-dibutyl-3H-imidazo[4,5-b]pyridine-3-acetamide
CID 14390306
2-[2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N-methyl-N-propylacetamide
CID 14390388
2-[5-chloro-2-(4-chlorophenyl)imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 14390449
4-[3-(4-Chloro-benzyl)-3H-imidazo[4,5-b]pyridin-2-yl]-3,3-dimethyl-butyric acid
CID 14953114
2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylacetamide
CID 15099493
8-(2-Chlorophenyl)-9-(1,3-dimethoxypropan-2-yl)-6-(4-ethylpiperazin-1-yl)-2-methylpurine
CID 58459090

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate (CID 54217062) is ethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate is CCOC(=O)Cn1c(-c2ccc(Cl)cc2)nc2ccc(C)nc21.
What is the InChIKey of ethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate?
The InChIKey is PZYGKYBWFYQOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-3-23-15(22)10-21-16(12-5-7-13(18)8-6-12)20-14-9-4-11(2)19-17(14)21/h4-9H,3,10H2,1-2H3.
What are the key properties of ethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate?
ethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate has a molecular weight of 329.79 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate is sourced from PubChem (CID 54217062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).