5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]

C19H19FN2O — CID 11404096

IUPAC5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILES[18F]c1ccccc1-c1cnc2c(c1)CC1(CN3CCC1CC3)O2
InChIInChI=1S/C19H19FN2O/c20-17-4-2-1-3-16(17)14-9-13-10-19(23-18(13)21-11-14)12-22-7-5-15(19)6-8-22/h1-4,9,11,15H,5-8,10,12H2/i20-1
InChIKeyIMWGWAYABKDJKD-LRFGSCOBSA-N
MW309.37 g/mol
LogP3.29
Rot. Bonds1

About 5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]

5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (PubChem CID 11404096) has the molecular formula C19H19FN2O and a molecular weight of 309.37 g/mol. Its IUPAC name is 5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].

Molecular Properties

Compound Name5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
PubChem CID11404096
Molecular FormulaC19H19FN2O
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILES[18F]c1ccccc1-c1cnc2c(c1)CC1(CN3CCC1CC3)O2
InChIInChI=1S/C19H19FN2O/c20-17-4-2-1-3-16(17)14-9-13-10-19(23-18(13)21-11-14)12-22-7-5-15(19)6-8-22/h1-4,9,11,15H,5-8,10,12H2/i20-1
InChIKeyIMWGWAYABKDJKD-LRFGSCOBSA-N
XLogP3.29
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] with MolForge

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CID 9815800
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CID 59184419

Frequently Asked Questions

What is the IUPAC name of 5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The IUPAC name of 5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (CID 11404096) is 5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].
What is the SMILES notation for 5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The canonical SMILES for 5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is [18F]c1ccccc1-c1cnc2c(c1)CC1(CN3CCC1CC3)O2.
What is the InChIKey of 5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The InChIKey is IMWGWAYABKDJKD-LRFGSCOBSA-N. The full InChI is InChI=1S/C19H19FN2O/c20-17-4-2-1-3-16(17)14-9-13-10-19(23-18(13)21-11-14)12-22-7-5-15(19)6-8-22/h1-4,9,11,15H,5-8,10,12H2/i20-1.
What are the key properties of 5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] has a molecular weight of 309.37 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is sourced from PubChem (CID 11404096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).