2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine

C16H17ClN4 — CID 79278369

IUPAC2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2CCc1cccnc1
InChIInChI=1S/C16H17ClN4/c1-12-9-14-16(19-10-12)21(15(20-14)4-6-17)8-5-13-3-2-7-18-11-13/h2-3,7,9-11H,4-6,8H2,1H3
InChIKeyUXTSIHJQWSUBPG-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.16
Rot. Bonds5

About 2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine

2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine (PubChem CID 79278369) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine
PubChem CID79278369
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine
SMILESCc1cnc2c(c1)nc(CCCl)n2CCc1cccnc1
InChIInChI=1S/C16H17ClN4/c1-12-9-14-16(19-10-12)21(15(20-14)4-6-17)8-5-13-3-2-7-18-11-13/h2-3,7,9-11H,4-6,8H2,1H3
InChIKeyUXTSIHJQWSUBPG-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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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine (CID 79278369) is 2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine is Cc1cnc2c(c1)nc(CCCl)n2CCc1cccnc1.
What is the InChIKey of 2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine?
The InChIKey is UXTSIHJQWSUBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c1-12-9-14-16(19-10-12)21(15(20-14)4-6-17)8-5-13-3-2-7-18-11-13/h2-3,7,9-11H,4-6,8H2,1H3.
What are the key properties of 2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine?
2-(2-chloroethyl)-6-methyl-3-(2-pyridin-3-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)-6-methyl-3-(2-pyridin-3-ylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 79278369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).