6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine

C13H15N3O — CID 66758095

IUPAC6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine
SMILESc1cc2ncc(N3C[C@H]4CNCC[C@H]43)cc2o1
InChIInChI=1S/C13H15N3O/c1-3-14-6-9-8-16(12(1)9)10-5-13-11(15-7-10)2-4-17-13/h2,4-5,7,9,12,14H,1,3,6,8H2/t9-,12-/m1/s1
InChIKeyNLNLYTQHNWFDNT-BXKDBHETSA-N
MW229.28 g/mol
LogP1.63
Rot. Bonds1

About 6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine

6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine (PubChem CID 66758095) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine
PubChem CID66758095
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine
SMILESc1cc2ncc(N3C[C@H]4CNCC[C@H]43)cc2o1
InChIInChI=1S/C13H15N3O/c1-3-14-6-9-8-16(12(1)9)10-5-13-11(15-7-10)2-4-17-13/h2,4-5,7,9,12,14H,1,3,6,8H2/t9-,12-/m1/s1
InChIKeyNLNLYTQHNWFDNT-BXKDBHETSA-N
XLogP1.63
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine 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 6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine?
The IUPAC name of 6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine (CID 66758095) is 6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine.
What is the SMILES notation for 6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine?
The canonical SMILES for 6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine is c1cc2ncc(N3C[C@H]4CNCC[C@H]43)cc2o1.
What is the InChIKey of 6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine?
The InChIKey is NLNLYTQHNWFDNT-BXKDBHETSA-N. The full InChI is InChI=1S/C13H15N3O/c1-3-14-6-9-8-16(12(1)9)10-5-13-11(15-7-10)2-4-17-13/h2,4-5,7,9,12,14H,1,3,6,8H2/t9-,12-/m1/s1.
What are the key properties of 6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine?
6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine has a molecular weight of 229.28 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R,6R)-3,7-diazabicyclo[4.2.0]octan-7-yl]furo[3,2-b]pyridine is sourced from PubChem (CID 66758095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).