ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate

C16H15N3O2 — CID 14369782

IUPACethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate
SMILESCCOC(=O)c1ccc(Cn2cnc3cccnc32)cc1
InChIInChI=1S/C16H15N3O2/c1-2-21-16(20)13-7-5-12(6-8-13)10-19-11-18-14-4-3-9-17-15(14)19/h3-9,11H,2,10H2,1H3
InChIKeyINRLMRMBILBOLO-UHFFFAOYSA-N
MW281.32 g/mol
LogP2.66
Rot. Bonds4

About ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate

ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate (PubChem CID 14369782) has the molecular formula C16H15N3O2 and a molecular weight of 281.32 g/mol. Its IUPAC name is ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate.

Molecular Properties

Compound Nameethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate
PubChem CID14369782
Molecular FormulaC16H15N3O2
Molecular Weight281.32 g/mol
Exact Mass281.12
IUPAC Nameethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate
SMILESCCOC(=O)c1ccc(Cn2cnc3cccnc32)cc1
InChIInChI=1S/C16H15N3O2/c1-2-21-16(20)13-7-5-12(6-8-13)10-19-11-18-14-4-3-9-17-15(14)19/h3-9,11H,2,10H2,1H3
InChIKeyINRLMRMBILBOLO-UHFFFAOYSA-N
XLogP2.66
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzylimidazo[4,5-b]pyridine
CID 11009167
ethyl 4-(3-methylimidazo[4,5-b]pyridin-2-yl)benzoate
CID 170985522
diethyl 1-benzylimidazole-4,5-dicarboxylate
CID 852453
ethyl 2-(2-chlorophenyl)-3-imidazo[4,5-b]pyridin-3-ylpropanoate;hydrochloride
CID 70414288
methyl 4-[(2,6-diaminopurin-9-yl)methyl]benzoate
CID 86187446
ethyl 4-[(5-methyltetrazol-1-yl)methyl]benzoate
CID 90642861
2-(imidazo[4,5-b]pyridin-3-ylmethoxy)ethyl acetate
CID 68879998
ethyl N-[4-[(4-oxoquinazolin-3-yl)methyl]phenyl]carbamate
CID 110179445
N-(4-ethylphenyl)-4-imidazo[4,5-b]pyridin-3-ylbenzamide
CID 46277196
ethyl 4-(hydroxymethyl)benzoate;methane
CID 162096711
ethyl 4-[(3-formylindol-1-yl)methyl]benzoate
CID 3585043
ethyl 1-(2,2-difluoroethyl)benzimidazole-5-carboxylate
CID 152584994

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate?
The IUPAC name of ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate (CID 14369782) is ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate.
What is the SMILES notation for ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate?
The canonical SMILES for ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate is CCOC(=O)c1ccc(Cn2cnc3cccnc32)cc1.
What is the InChIKey of ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate?
The InChIKey is INRLMRMBILBOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-2-21-16(20)13-7-5-12(6-8-13)10-19-11-18-14-4-3-9-17-15(14)19/h3-9,11H,2,10H2,1H3.
What are the key properties of ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate?
ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate has a molecular weight of 281.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(imidazo[4,5-b]pyridin-3-ylmethyl)benzoate is sourced from PubChem (CID 14369782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).