5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one

C18H19N3O2 — CID 11688146

IUPAC5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one
SMILESO=C1c2cc(-c3ccncc3)oc2CN1[C@H]1CN2CCC1CC2
InChIInChI=1S/C18H19N3O2/c22-18-14-9-16(13-1-5-19-6-2-13)23-17(14)11-21(18)15-10-20-7-3-12(15)4-8-20/h1-2,5-6,9,12,15H,3-4,7-8,10-11H2/t15-/m0/s1
InChIKeyQDVKWPQKNQSMED-HNNXBMFYSA-N
MW309.37 g/mol
LogP2.39
Rot. Bonds2

About 5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one

5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one (PubChem CID 11688146) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one.

Molecular Properties

Compound Name5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one
PubChem CID11688146
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one
SMILESO=C1c2cc(-c3ccncc3)oc2CN1[C@H]1CN2CCC1CC2
InChIInChI=1S/C18H19N3O2/c22-18-14-9-16(13-1-5-19-6-2-13)23-17(14)11-21(18)15-10-20-7-3-12(15)4-8-20/h1-2,5-6,9,12,15H,3-4,7-8,10-11H2/t15-/m0/s1
InChIKeyQDVKWPQKNQSMED-HNNXBMFYSA-N
XLogP2.39
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one?
The IUPAC name of 5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one (CID 11688146) is 5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one.
What is the SMILES notation for 5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one?
The canonical SMILES for 5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one is O=C1c2cc(-c3ccncc3)oc2CN1[C@H]1CN2CCC1CC2.
What is the InChIKey of 5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one?
The InChIKey is QDVKWPQKNQSMED-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19N3O2/c22-18-14-9-16(13-1-5-19-6-2-13)23-17(14)11-21(18)15-10-20-7-3-12(15)4-8-20/h1-2,5-6,9,12,15H,3-4,7-8,10-11H2/t15-/m0/s1.
What are the key properties of 5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one?
5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one has a molecular weight of 309.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-pyridin-4-yl-6H-furo[2,3-c]pyrrol-4-one is sourced from PubChem (CID 11688146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).