6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine

C20H21FN2O3 — CID 71242959

IUPAC6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine
SMILESFc1ccc2ncc(-c3ccc(OCCOC4CCOCC4)cc3)n2c1
InChIInChI=1S/C20H21FN2O3/c21-16-3-6-20-22-13-19(23(20)14-16)15-1-4-17(5-2-15)25-11-12-26-18-7-9-24-10-8-18/h1-6,13-14,18H,7-12H2
InChIKeyODXDYJCOYSOYJR-UHFFFAOYSA-N
MW356.40 g/mol
LogP3.71
Rot. Bonds6

About 6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine

6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine (PubChem CID 71242959) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine
PubChem CID71242959
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine
SMILESFc1ccc2ncc(-c3ccc(OCCOC4CCOCC4)cc3)n2c1
InChIInChI=1S/C20H21FN2O3/c21-16-3-6-20-22-13-19(23(20)14-16)15-1-4-17(5-2-15)25-11-12-26-18-7-9-24-10-8-18/h1-6,13-14,18H,7-12H2
InChIKeyODXDYJCOYSOYJR-UHFFFAOYSA-N
XLogP3.71
TPSA44.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine (CID 71242959) is 6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine is Fc1ccc2ncc(-c3ccc(OCCOC4CCOCC4)cc3)n2c1.
What is the InChIKey of 6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine?
The InChIKey is ODXDYJCOYSOYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-16-3-6-20-22-13-19(23(20)14-16)15-1-4-17(5-2-15)25-11-12-26-18-7-9-24-10-8-18/h1-6,13-14,18H,7-12H2.
What are the key properties of 6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine?
6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine has a molecular weight of 356.40 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[4-[2-(oxan-4-yloxy)ethoxy]phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 71242959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).