7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine

C13H16FN3O — CID 175782063

IUPAC7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine
SMILESFC1CN(CCCOc2ccn3ccnc3c2)C1
InChIInChI=1S/C13H16FN3O/c14-11-9-16(10-11)4-1-7-18-12-2-5-17-6-3-15-13(17)8-12/h2-3,5-6,8,11H,1,4,7,9-10H2
InChIKeyCHRFOHBOSVQSGW-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.76
Rot. Bonds5

About 7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine

7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine (PubChem CID 175782063) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine
PubChem CID175782063
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine
SMILESFC1CN(CCCOc2ccn3ccnc3c2)C1
InChIInChI=1S/C13H16FN3O/c14-11-9-16(10-11)4-1-7-18-12-2-5-17-6-3-15-13(17)8-12/h2-3,5-6,8,11H,1,4,7,9-10H2
InChIKeyCHRFOHBOSVQSGW-UHFFFAOYSA-N
XLogP1.76
TPSA29.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.76
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-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine?
The IUPAC name of 7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine (CID 175782063) is 7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine?
The canonical SMILES for 7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine is FC1CN(CCCOc2ccn3ccnc3c2)C1.
What is the InChIKey of 7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine?
The InChIKey is CHRFOHBOSVQSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c14-11-9-16(10-11)4-1-7-18-12-2-5-17-6-3-15-13(17)8-12/h2-3,5-6,8,11H,1,4,7,9-10H2.
What are the key properties of 7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine?
7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine has a molecular weight of 249.29 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-fluoroazetidin-1-yl)propoxy]imidazo[1,2-a]pyridine is sourced from PubChem (CID 175782063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).