2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine

C16H17ClN4 — CID 81141067

IUPAC2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(CCc3ccccn3)c2n1
InChIInChI=1S/C16H17ClN4/c1-12-5-6-14-16(19-12)21(15(20-14)7-9-17)11-8-13-4-2-3-10-18-13/h2-6,10H,7-9,11H2,1H3
InChIKeyZRNAZPHWUGNURA-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.16
Rot. Bonds5

About 2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine (PubChem CID 81141067) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
PubChem CID81141067
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(CCCl)n(CCc3ccccn3)c2n1
InChIInChI=1S/C16H17ClN4/c1-12-5-6-14-16(19-12)21(15(20-14)7-9-17)11-8-13-4-2-3-10-18-13/h2-6,10H,7-9,11H2,1H3
InChIKeyZRNAZPHWUGNURA-UHFFFAOYSA-N
XLogP3.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-5-methyl-3-(2-methylsulfonylethyl)imidazo[4,5-b]pyridine
CID 81135399
2-(2-chloroethyl)-3-(2,2-dimethylpropyl)-5-methylimidazo[4,5-b]pyridine
CID 81135885
2-(2-chloroethyl)-5-fluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 43666287
2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79289197
2-(2-chloroethyl)-5-methyl-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 81136240
2-(2-chloroethyl)-3-[(1-ethylcyclopropyl)methyl]-5-methylimidazo[4,5-b]pyridine
CID 114101222
2-(1-chloroethyl)-5-methyl-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 81135521
5-[[2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole
CID 81135622
2-(2-chloroethyl)-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79294900
2-(chloromethyl)-6,7-difluoro-1-(2-pyridin-2-ylethyl)benzimidazole
CID 62533244
2-(chloromethyl)-5-methyl-3-(2-pyrazol-1-ylethyl)imidazo[4,5-b]pyridine
CID 81135677
ethyl 2-[2-(2-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]acetate
CID 81136384

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine (CID 81141067) is 2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine is Cc1ccc2nc(CCCl)n(CCc3ccccn3)c2n1.
What is the InChIKey of 2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine?
The InChIKey is ZRNAZPHWUGNURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-12-5-6-14-16(19-12)21(15(20-14)7-9-17)11-8-13-4-2-3-10-18-13/h2-6,10H,7-9,11H2,1H3.
What are the key properties of 2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine has a molecular weight of 300.79 g/mol, XLogP of 3.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-5-methyl-3-(2-pyridin-2-ylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 81141067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).