Basic information
- CAS
940951-61-1- Standard SMILES
CCN(C(C)=O)c1cccc(C(=O)/C=C/c2cnc3c(C#N)cnn3c2-c2cccc(N(CC)C(C)=O)c2)c1- InChIKey
GYJHURKJXXSKIK-BUHFOSPRSA-N- Molecular formula
- C30H28N6O3
- Average molar mass
- 520.6 g/mol
- Monoisotopic mass
- 520.22228878
Names & identifiers
- Preferred name
- (E)-N-(3-(3-Cyano-6-(3-(3-(N-ethylacetamido)phenyl)-3-oxoprop-1-en-1-yl)pyrazolo(1,5-a)pyrimidin-7-yl)phenyl)-N-ethylacetamide
- IUPAC
- N-[3-[6-[(E)-3-[3-[acetyl(ethyl)amino]phenyl]-3-oxoprop-1-enyl]-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-ethylacetamide
Names & synonyms
UNII-0DDM1NS7HG940951-61-10DDM1NS7HG(E)-N-(3-(3-Cyano-6-(3-(3-(N-ethylacetamido)phenyl)-3-oxoprop-1-en-1-yl)pyrazolo(1,5-a)pyrimidin-7-yl)phenyl)-N-ethylacetamideAcetamide, N-(3-((2E)-3-(7-(3-(acetylethylamino)phenyl)-3-cyanopyrazolo(1,5-a)pyrimidin-6-yl)-1-oxo-2-propen-1-yl)phenyl)-N-ethyl-N-(3-((2E)-3-(7-(3-(Acetylethylamino)phenyl)-3-cyanopyrazolo(1,5-a)pyrimidin-6-yl)-1-oxo-2-propen-1-yl)phenyl)-N-ethylacetamide(E)-N-(3-(3-cyano-6-(3-(3-(N-ethylacetamido)phenyl)-3-oxoprop-1-en-1-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-N-ethylacetamideRefChem:196550N-[3-[6-[(E)-3-[3-[acetyl(ethyl)amino]phenyl]-3-oxoprop-1-enyl]-3-cyanopyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-ethylacetamideZaleplon Impurity 19
Database identifiers
- CAS
940951-61-1- PubChem CID
- 11627769
- UNII
- 0DDM1NS7HG
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 975
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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