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

C17H17FN2OS — CID 10335924

IUPAC(3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESFc1cc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)cs1
InChIInChI=1S/C17H17FN2OS/c18-15-6-13(9-22-15)12-5-11-7-17(21-16(11)19-8-12)10-20-3-1-14(17)2-4-20/h5-6,8-9,14H,1-4,7,10H2/t17-/m0/s1
InChIKeyDYLBIMKJVBZUNA-KRWDZBQOSA-N
MW316.40 g/mol
LogP3.35
Rot. Bonds1

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

(3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (PubChem CID 10335924) has the molecular formula C17H17FN2OS and a molecular weight of 316.40 g/mol. Its IUPAC name is (3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].

Molecular Properties

Compound Name(3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
PubChem CID10335924
Molecular FormulaC17H17FN2OS
Molecular Weight316.40 g/mol
Exact Mass316.10
IUPAC Name(3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESFc1cc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)cs1
InChIInChI=1S/C17H17FN2OS/c18-15-6-13(9-22-15)12-5-11-7-17(21-16(11)19-8-12)10-20-3-1-14(17)2-4-20/h5-6,8-9,14H,1-4,7,10H2/t17-/m0/s1
InChIKeyDYLBIMKJVBZUNA-KRWDZBQOSA-N
XLogP3.35
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The IUPAC name of (3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (CID 10335924) is (3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].
What is the SMILES notation for (3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The canonical SMILES for (3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is Fc1cc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)cs1.
What is the InChIKey of (3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The InChIKey is DYLBIMKJVBZUNA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17FN2OS/c18-15-6-13(9-22-15)12-5-11-7-17(21-16(11)19-8-12)10-20-3-1-14(17)2-4-20/h5-6,8-9,14H,1-4,7,10H2/t17-/m0/s1.
What are the key properties of (3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
(3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] has a molecular weight of 316.40 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is sourced from PubChem (CID 10335924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).