2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine

C18H19FN2O3 — CID 68587943

IUPAC2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine
SMILESCOCOc1ccc2nc(-c3ccc(OCCCF)cc3)cn2c1
InChIInChI=1S/C18H19FN2O3/c1-22-13-24-16-7-8-18-20-17(12-21(18)11-16)14-3-5-15(6-4-14)23-10-2-9-19/h3-8,11-12H,2,9-10,13H2,1H3
InChIKeyWLTTXGWAYISAOJ-UHFFFAOYSA-N
MW330.36 g/mol
LogP3.72
Rot. Bonds8

About 2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine

2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine (PubChem CID 68587943) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is 2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine
PubChem CID68587943
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Name2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine
SMILESCOCOc1ccc2nc(-c3ccc(OCCCF)cc3)cn2c1
InChIInChI=1S/C18H19FN2O3/c1-22-13-24-16-7-8-18-20-17(12-21(18)11-16)14-3-5-15(6-4-14)23-10-2-9-19/h3-8,11-12H,2,9-10,13H2,1H3
InChIKeyWLTTXGWAYISAOJ-UHFFFAOYSA-N
XLogP3.72
TPSA44.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine (CID 68587943) is 2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine is COCOc1ccc2nc(-c3ccc(OCCCF)cc3)cn2c1.
What is the InChIKey of 2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine?
The InChIKey is WLTTXGWAYISAOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-22-13-24-16-7-8-18-20-17(12-21(18)11-16)14-3-5-15(6-4-14)23-10-2-9-19/h3-8,11-12H,2,9-10,13H2,1H3.
What are the key properties of 2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine?
2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine has a molecular weight of 330.36 g/mol, XLogP of 3.72, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluoropropoxy)phenyl]-6-(methoxymethoxy)imidazo[1,2-a]pyridine is sourced from PubChem (CID 68587943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).