3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine

C14H13ClN4O2 — CID 155587467

IUPAC3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine
SMILESCOCCOc1ccn2c(-c3cc(Cl)ncn3)cnc2c1
InChIInChI=1S/C14H13ClN4O2/c1-20-4-5-21-10-2-3-19-12(8-16-14(19)6-10)11-7-13(15)18-9-17-11/h2-3,6-9H,4-5H2,1H3
InChIKeyWFKZPVISRMXZSU-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.47
Rot. Bonds5

About 3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine

3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine (PubChem CID 155587467) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine
PubChem CID155587467
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine
SMILESCOCCOc1ccn2c(-c3cc(Cl)ncn3)cnc2c1
InChIInChI=1S/C14H13ClN4O2/c1-20-4-5-21-10-2-3-19-12(8-16-14(19)6-10)11-7-13(15)18-9-17-11/h2-3,6-9H,4-5H2,1H3
InChIKeyWFKZPVISRMXZSU-UHFFFAOYSA-N
XLogP2.47
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine?
The IUPAC name of 3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine (CID 155587467) is 3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine is COCCOc1ccn2c(-c3cc(Cl)ncn3)cnc2c1.
What is the InChIKey of 3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine?
The InChIKey is WFKZPVISRMXZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-20-4-5-21-10-2-3-19-12(8-16-14(19)6-10)11-7-13(15)18-9-17-11/h2-3,6-9H,4-5H2,1H3.
What are the key properties of 3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine?
3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine has a molecular weight of 304.74 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloropyrimidin-4-yl)-7-(2-methoxyethoxy)imidazo[1,2-a]pyridine is sourced from PubChem (CID 155587467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).