[(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone

C21H25N3O — CID 97081416

IUPAC[(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone
SMILESO=C(c1cnc2n1CCCC2)N1C[C@@H]2CCCC[C@]21c1ccccc1
InChIInChI=1S/C21H25N3O/c25-20(18-14-22-19-11-5-7-13-23(18)19)24-15-17-10-4-6-12-21(17,24)16-8-2-1-3-9-16/h1-3,8-9,14,17H,4-7,10-13,15H2/t17-,21-/m0/s1
InChIKeyCXTVDGORRVKMFO-UWJYYQICSA-N
MW335.45 g/mol
LogP3.76
Rot. Bonds2

About [(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone

[(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone (PubChem CID 97081416) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is [(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone.

Molecular Properties

Compound Name[(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone
PubChem CID97081416
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name[(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone
SMILESO=C(c1cnc2n1CCCC2)N1C[C@@H]2CCCC[C@]21c1ccccc1
InChIInChI=1S/C21H25N3O/c25-20(18-14-22-19-11-5-7-13-23(18)19)24-15-17-10-4-6-12-21(17,24)16-8-2-1-3-9-16/h1-3,8-9,14,17H,4-7,10-13,15H2/t17-,21-/m0/s1
InChIKeyCXTVDGORRVKMFO-UWJYYQICSA-N
XLogP3.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone?
The IUPAC name of [(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone (CID 97081416) is [(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone.
What is the SMILES notation for [(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone?
The canonical SMILES for [(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone is O=C(c1cnc2n1CCCC2)N1C[C@@H]2CCCC[C@]21c1ccccc1.
What is the InChIKey of [(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone?
The InChIKey is CXTVDGORRVKMFO-UWJYYQICSA-N. The full InChI is InChI=1S/C21H25N3O/c25-20(18-14-22-19-11-5-7-13-23(18)19)24-15-17-10-4-6-12-21(17,24)16-8-2-1-3-9-16/h1-3,8-9,14,17H,4-7,10-13,15H2/t17-,21-/m0/s1.
What are the key properties of [(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone?
[(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone has a molecular weight of 335.45 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6R)-6-phenyl-7-azabicyclo[4.2.0]octan-7-yl]-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)methanone is sourced from PubChem (CID 97081416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).