6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine

C13H15Cl2N3O — CID 114118197

IUPAC6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine
SMILESCOC1CCC(n2c(CCl)nc3cc(Cl)cnc32)C1
InChIInChI=1S/C13H15Cl2N3O/c1-19-10-3-2-9(5-10)18-12(6-14)17-11-4-8(15)7-16-13(11)18/h4,7,9-10H,2-3,5-6H2,1H3
InChIKeyDDCSWGHSUSUYPM-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.56
Rot. Bonds3

About 6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine

6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine (PubChem CID 114118197) has the molecular formula C13H15Cl2N3O and a molecular weight of 300.19 g/mol. Its IUPAC name is 6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine
PubChem CID114118197
Molecular FormulaC13H15Cl2N3O
Molecular Weight300.19 g/mol
Exact Mass299.06
IUPAC Name6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine
SMILESCOC1CCC(n2c(CCl)nc3cc(Cl)cnc32)C1
InChIInChI=1S/C13H15Cl2N3O/c1-19-10-3-2-9(5-10)18-12(6-14)17-11-4-8(15)7-16-13(11)18/h4,7,9-10H,2-3,5-6H2,1H3
InChIKeyDDCSWGHSUSUYPM-UHFFFAOYSA-N
XLogP3.56
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine (CID 114118197) is 6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine is COC1CCC(n2c(CCl)nc3cc(Cl)cnc32)C1.
What is the InChIKey of 6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine?
The InChIKey is DDCSWGHSUSUYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O/c1-19-10-3-2-9(5-10)18-12(6-14)17-11-4-8(15)7-16-13(11)18/h4,7,9-10H,2-3,5-6H2,1H3.
What are the key properties of 6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine?
6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine has a molecular weight of 300.19 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(chloromethyl)-3-(3-methoxycyclopentyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 114118197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).