(3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]

C20H19N3O2 — CID 11439014

IUPAC(3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESc1cnc2c(-c3cnc4c(c3)C[C@@]3(CN5CCC3CC5)O4)coc2c1
InChIInChI=1S/C20H19N3O2/c1-2-17-18(21-5-1)16(11-24-17)14-8-13-9-20(25-19(13)22-10-14)12-23-6-3-15(20)4-7-23/h1-2,5,8,10-11,15H,3-4,6-7,9,12H2/t20-/m0/s1
InChIKeyWIQMBWFRMTZYJN-FQEVSTJZSA-N
MW333.39 g/mol
LogP3.29
Rot. Bonds1

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

(3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (PubChem CID 11439014) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is (3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].

Molecular Properties

Compound Name(3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
PubChem CID11439014
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name(3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]
SMILESc1cnc2c(-c3cnc4c(c3)C[C@@]3(CN5CCC3CC5)O4)coc2c1
InChIInChI=1S/C20H19N3O2/c1-2-17-18(21-5-1)16(11-24-17)14-8-13-9-20(25-19(13)22-10-14)12-23-6-3-15(20)4-7-23/h1-2,5,8,10-11,15H,3-4,6-7,9,12H2/t20-/m0/s1
InChIKeyWIQMBWFRMTZYJN-FQEVSTJZSA-N
XLogP3.29
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The IUPAC name of (3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] (CID 11439014) is (3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine].
What is the SMILES notation for (3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The canonical SMILES for (3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is c1cnc2c(-c3cnc4c(c3)C[C@@]3(CN5CCC3CC5)O4)coc2c1.
What is the InChIKey of (3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
The InChIKey is WIQMBWFRMTZYJN-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-2-17-18(21-5-1)16(11-24-17)14-8-13-9-20(25-19(13)22-10-14)12-23-6-3-15(20)4-7-23/h1-2,5,8,10-11,15H,3-4,6-7,9,12H2/t20-/m0/s1.
What are the key properties of (3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine]?
(3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] has a molecular weight of 333.39 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5'-furo[3,2-b]pyridin-3-ylspiro[1-azabicyclo[2.2.2]octane-3,2'-3H-furo[2,3-b]pyridine] is sourced from PubChem (CID 11439014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).