2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]

C20H21N3O — CID 54216373

IUPAC2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESC(=CC1N2CCC(CC2)C12Cc1cccnc1O2)c1ccncc1
InChIInChI=1S/C20H21N3O/c1-2-16-14-20(24-19(16)22-9-1)17-7-12-23(13-8-17)18(20)4-3-15-5-10-21-11-6-15/h1-6,9-11,17-18H,7-8,12-14H2
InChIKeyPZLZWJVHLROFIG-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.96
Rot. Bonds2

About 2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]

2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (PubChem CID 54216373) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].

Molecular Properties

Compound Name2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
PubChem CID54216373
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESC(=CC1N2CCC(CC2)C12Cc1cccnc1O2)c1ccncc1
InChIInChI=1S/C20H21N3O/c1-2-16-14-20(24-19(16)22-9-1)17-7-12-23(13-8-17)18(20)4-3-15-5-10-21-11-6-15/h1-6,9-11,17-18H,7-8,12-14H2
InChIKeyPZLZWJVHLROFIG-UHFFFAOYSA-N
XLogP2.96
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] with MolForge

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Related Compounds

Azd0328
CID 9794392
Psab-ofp
CID 16727408
3-((S)-1-Methyl-pyrrolidin-2-ylmethoxy)-5-(2-pyridin-4-yl-ethyl)-pyridine
CID 10469925
5'-(2-fluorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
CID 11404096
5-(3-Pyridyl)-3-(1-methyl-2-(s)-pyrrolidinylmethoxy)pyridine
CID 15480241
R-Psop
CID 73755058
(3R)-N-(pyridin-3-ylmethyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]-5'-amine
CID 11738788
(6R,10bR)-9-(3-morpholinopropoxy)-6-(pyridin-3-yl)-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
CID 44441070
[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
3-[[(2R,3S)-2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-yl]oxy]isoquinoline
CID 170567506

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The IUPAC name of 2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (CID 54216373) is 2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].
What is the SMILES notation for 2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The canonical SMILES for 2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is C(=CC1N2CCC(CC2)C12Cc1cccnc1O2)c1ccncc1.
What is the InChIKey of 2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The InChIKey is PZLZWJVHLROFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-2-16-14-20(24-19(16)22-9-1)17-7-12-23(13-8-17)18(20)4-3-15-5-10-21-11-6-15/h1-6,9-11,17-18H,7-8,12-14H2.
What are the key properties of 2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] has a molecular weight of 319.41 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-ylethenyl)spiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is sourced from PubChem (CID 54216373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).