1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone

C17H19Cl2N3O — CID 99814754

IUPAC1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone
SMILESO=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1C[C@H]2CCCCC[C@H]21
InChIInChI=1S/C17H19Cl2N3O/c18-12-6-14(19)17-20-13(10-21(17)9-12)7-16(23)22-8-11-4-2-1-3-5-15(11)22/h6,9-11,15H,1-5,7-8H2/t11-,15-/m1/s1
InChIKeyRWQMTSULBHSJGE-IAQYHMDHSA-N
MW352.27 g/mol
LogP3.97
Rot. Bonds2

About 1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone

1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone (PubChem CID 99814754) has the molecular formula C17H19Cl2N3O and a molecular weight of 352.27 g/mol. Its IUPAC name is 1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone.

Molecular Properties

Compound Name1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone
PubChem CID99814754
Molecular FormulaC17H19Cl2N3O
Molecular Weight352.27 g/mol
Exact Mass351.09
IUPAC Name1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone
SMILESO=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1C[C@H]2CCCCC[C@H]21
InChIInChI=1S/C17H19Cl2N3O/c18-12-6-14(19)17-20-13(10-21(17)9-12)7-16(23)22-8-11-4-2-1-3-5-15(11)22/h6,9-11,15H,1-5,7-8H2/t11-,15-/m1/s1
InChIKeyRWQMTSULBHSJGE-IAQYHMDHSA-N
XLogP3.97
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone?
The IUPAC name of 1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone (CID 99814754) is 1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone.
What is the SMILES notation for 1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone?
The canonical SMILES for 1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone is O=C(Cc1cn2cc(Cl)cc(Cl)c2n1)N1C[C@H]2CCCCC[C@H]21.
What is the InChIKey of 1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone?
The InChIKey is RWQMTSULBHSJGE-IAQYHMDHSA-N. The full InChI is InChI=1S/C17H19Cl2N3O/c18-12-6-14(19)17-20-13(10-21(17)9-12)7-16(23)22-8-11-4-2-1-3-5-15(11)22/h6,9-11,15H,1-5,7-8H2/t11-,15-/m1/s1.
What are the key properties of 1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone?
1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone has a molecular weight of 352.27 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,7R)-8-azabicyclo[5.2.0]nonan-8-yl]-2-(6,8-dichloroimidazo[1,2-a]pyridin-2-yl)ethanone is sourced from PubChem (CID 99814754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).