5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine

C12H15ClN4 — CID 24903989

IUPAC5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
SMILESClc1ccc2ncn(CCN3CCCC3)c2n1
InChIInChI=1S/C12H15ClN4/c13-11-4-3-10-12(15-11)17(9-14-10)8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8H2
InChIKeyJLWUCEQAGBQQAV-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.18
Rot. Bonds3

About 5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine

5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine (PubChem CID 24903989) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
PubChem CID24903989
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
SMILESClc1ccc2ncn(CCN3CCCC3)c2n1
InChIInChI=1S/C12H15ClN4/c13-11-4-3-10-12(15-11)17(9-14-10)8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8H2
InChIKeyJLWUCEQAGBQQAV-UHFFFAOYSA-N
XLogP2.18
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine (CID 24903989) is 5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine is Clc1ccc2ncn(CCN3CCCC3)c2n1.
What is the InChIKey of 5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
The InChIKey is JLWUCEQAGBQQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c13-11-4-3-10-12(15-11)17(9-14-10)8-7-16-5-1-2-6-16/h3-4,9H,1-2,5-8H2.
What are the key properties of 5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine?
5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine has a molecular weight of 250.73 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 24903989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).