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

C17H17ClN2OS — CID 10246214

IUPAC(3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESClc1ccc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)s1
InChIInChI=1S/C17H17ClN2OS/c18-15-2-1-14(22-15)12-7-11-8-17(21-16(11)19-9-12)10-20-5-3-13(17)4-6-20/h1-2,7,9,13H,3-6,8,10H2/t17-/m0/s1
InChIKeyCJYZUXDETNGQMM-KRWDZBQOSA-N
MW332.86 g/mol
LogP3.86
Rot. Bonds1

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

(3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (PubChem CID 10246214) has the molecular formula C17H17ClN2OS and a molecular weight of 332.86 g/mol. Its IUPAC name is (3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].

Molecular Properties

Compound Name(3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
PubChem CID10246214
Molecular FormulaC17H17ClN2OS
Molecular Weight332.86 g/mol
Exact Mass332.08
IUPAC Name(3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESClc1ccc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)s1
InChIInChI=1S/C17H17ClN2OS/c18-15-2-1-14(22-15)12-7-11-8-17(21-16(11)19-9-12)10-20-5-3-13(17)4-6-20/h1-2,7,9,13H,3-6,8,10H2/t17-/m0/s1
InChIKeyCJYZUXDETNGQMM-KRWDZBQOSA-N
XLogP3.86
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.86
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The IUPAC name of (3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (CID 10246214) is (3R)-5'-(5-chlorothiophen-2-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-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The canonical SMILES for (3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is Clc1ccc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)s1.
What is the InChIKey of (3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The InChIKey is CJYZUXDETNGQMM-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17ClN2OS/c18-15-2-1-14(22-15)12-7-11-8-17(21-16(11)19-9-12)10-20-5-3-13(17)4-6-20/h1-2,7,9,13H,3-6,8,10H2/t17-/m0/s1.
What are the key properties of (3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
(3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] has a molecular weight of 332.86 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5'-(5-chlorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is sourced from PubChem (CID 10246214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).