7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine

C19H20FN3O — CID 86280945

IUPAC7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine
SMILESFCCCOc1ccc(-c2cn3ccc(N4CCC4)cc3n2)cc1
InChIInChI=1S/C19H20FN3O/c20-8-1-12-24-17-5-3-15(4-6-17)18-14-23-11-7-16(13-19(23)21-18)22-9-2-10-22/h3-7,11,13-14H,1-2,8-10,12H2
InChIKeyRTSRTNUMIFIHGI-UHFFFAOYSA-N
MW325.39 g/mol
LogP3.95
Rot. Bonds6

About 7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine

7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine (PubChem CID 86280945) has the molecular formula C19H20FN3O and a molecular weight of 325.39 g/mol. Its IUPAC name is 7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine
PubChem CID86280945
Molecular FormulaC19H20FN3O
Molecular Weight325.39 g/mol
Exact Mass325.16
IUPAC Name7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine
SMILESFCCCOc1ccc(-c2cn3ccc(N4CCC4)cc3n2)cc1
InChIInChI=1S/C19H20FN3O/c20-8-1-12-24-17-5-3-15(4-6-17)18-14-23-11-7-16(13-19(23)21-18)22-9-2-10-22/h3-7,11,13-14H,1-2,8-10,12H2
InChIKeyRTSRTNUMIFIHGI-UHFFFAOYSA-N
XLogP3.95
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine (CID 86280945) is 7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine is FCCCOc1ccc(-c2cn3ccc(N4CCC4)cc3n2)cc1.
What is the InChIKey of 7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine?
The InChIKey is RTSRTNUMIFIHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O/c20-8-1-12-24-17-5-3-15(4-6-17)18-14-23-11-7-16(13-19(23)21-18)22-9-2-10-22/h3-7,11,13-14H,1-2,8-10,12H2.
What are the key properties of 7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine?
7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine has a molecular weight of 325.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(azetidin-1-yl)-2-[4-(3-fluoropropoxy)phenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 86280945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).