5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine

C14H13ClN4O — CID 167902238

IUPAC5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine
SMILESCCOc1cc(Cn2cnc3ccc(Cl)nc32)ccn1
InChIInChI=1S/C14H13ClN4O/c1-2-20-13-7-10(5-6-16-13)8-19-9-17-11-3-4-12(15)18-14(11)19/h3-7,9H,2,8H2,1H3
InChIKeyVWGRWIYWQHRZDS-UHFFFAOYSA-N
MW288.74 g/mol
LogP2.93
Rot. Bonds4

About 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine

5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine (PubChem CID 167902238) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine
PubChem CID167902238
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine
SMILESCCOc1cc(Cn2cnc3ccc(Cl)nc32)ccn1
InChIInChI=1S/C14H13ClN4O/c1-2-20-13-7-10(5-6-16-13)8-19-9-17-11-3-4-12(15)18-14(11)19/h3-7,9H,2,8H2,1H3
InChIKeyVWGRWIYWQHRZDS-UHFFFAOYSA-N
XLogP2.93
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine 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-[(4-bromophenyl)methyl]-5-chloroimidazo[4,5-b]pyridine
CID 24904101
1-(5-chloroimidazo[4,5-b]pyridin-3-yl)propan-2-ol
CID 22504210
2-[(5-chloroimidazo[4,5-b]pyridin-3-yl)methoxy]ethyl-trimethylsilane
CID 90176933
2-chloro-4-iodopyridine;2-ethoxy-4-iodopyridine
CID 158706729
5,6-difluoro-1-[[2-(2-methoxyethoxy)-4-pyridinyl]methyl]benzimidazole
CID 75519939
5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 24903989
2-chloro-9-[(4-chlorophenyl)methyl]purine
CID 24904102
8-chloro-2-ethoxy-1,5-naphthyridine
CID 602078
2-(2-ethoxy-4-pyridinyl)-N-methylethanamine
CID 83875505
1-[(4-chlorophenyl)methyl]-5,6-diethoxybenzimidazole;hydrochloride
CID 158090362
3-benzylimidazo[4,5-b]pyridine
CID 11009167
6-chloro-2-ethoxyimidazo[1,2-b]pyridazine
CID 14088205

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine (CID 167902238) is 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine is CCOc1cc(Cn2cnc3ccc(Cl)nc32)ccn1.
What is the InChIKey of 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is VWGRWIYWQHRZDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-2-20-13-7-10(5-6-16-13)8-19-9-17-11-3-4-12(15)18-14(11)19/h3-7,9H,2,8H2,1H3.
What are the key properties of 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine?
5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 288.74 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[(2-ethoxy-4-pyridinyl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 167902238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).