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

C18H17N3OS — CID 10087569

IUPAC5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)s1
InChIInChI=1S/C18H17N3OS/c19-9-15-1-2-16(23-15)13-7-12-8-18(22-17(12)20-10-13)11-21-5-3-14(18)4-6-21/h1-2,7,10,14H,3-6,8,11H2/t18-/m0/s1
InChIKeyZBJQWTHBNJZDQU-SFHVURJKSA-N
MW323.42 g/mol
LogP3.08
Rot. Bonds1

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

5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]thiophene-2-carbonitrile (PubChem CID 10087569) has the molecular formula C18H17N3OS and a molecular weight of 323.42 g/mol. Its IUPAC name is 5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]thiophene-2-carbonitrile
PubChem CID10087569
Molecular FormulaC18H17N3OS
Molecular Weight323.42 g/mol
Exact Mass323.11
IUPAC Name5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)s1
InChIInChI=1S/C18H17N3OS/c19-9-15-1-2-16(23-15)13-7-12-8-18(22-17(12)20-10-13)11-21-5-3-14(18)4-6-21/h1-2,7,10,14H,3-6,8,11H2/t18-/m0/s1
InChIKeyZBJQWTHBNJZDQU-SFHVURJKSA-N
XLogP3.08
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

Azd0328
CID 9794392
Psab-ofp
CID 16727408
5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 11404096
[3H]AZ11637326
CID 73755064
Spiro[1-azabicyclo[2.2.2]octane-3,2'(3'H)-furo[2,3-b]pyridine]
CID 9815800
5'-Phenylspiro[1-azabicyclo[2.2.2]octane-3,2'(3'H)-furo[2,3-b]pyridine]
CID 10085732
5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 59184419
(3R)-5'-[2-(trifluoromethyl)-1,3-thiazol-4-yl]spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 10126243
(3R)-5'-[2-(trifluoromethyl)-1,3-thiazol-5-yl]spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 10215687
(3R)-5'-(5-fluorothiophen-3-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 10335924
(3R)-5'-(5-fluorothiophen-2-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 11723298
(3R)-5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 58925144

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]thiophene-2-carbonitrile?
The IUPAC name of 5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]thiophene-2-carbonitrile (CID 10087569) is 5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]thiophene-2-carbonitrile.
What is the SMILES notation for 5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]thiophene-2-carbonitrile?
The canonical SMILES for 5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]thiophene-2-carbonitrile is N#Cc1ccc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)s1.
What is the InChIKey of 5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]thiophene-2-carbonitrile?
The InChIKey is ZBJQWTHBNJZDQU-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17N3OS/c19-9-15-1-2-16(23-15)13-7-12-8-18(22-17(12)20-10-13)11-21-5-3-14(18)4-6-21/h1-2,7,10,14H,3-6,8,11H2/t18-/m0/s1.
What are the key properties of 5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]thiophene-2-carbonitrile?
5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]thiophene-2-carbonitrile has a molecular weight of 323.42 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-yl]thiophene-2-carbonitrile is sourced from PubChem (CID 10087569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).