7-phenylethynyl-2-(3,4,5-trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine

HCID 59540554
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Basic information

Standard SMILES
COc1cc(-c2cnc3[nH]cc(C#Cc4ccccc4)c3n2)cc(OC)c1OC
InChIKey
CGSRHQHUULGPSA-UHFFFAOYSA-N
Molecular formula
C23H19N3O3
Average molar mass
385.4 g/mol

Names & identifiers

Preferred name
7-phenylethynyl-2-(3,4,5-trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine
IUPAC
7-(2-phenylethynyl)-2-(3,4,5-trimethoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine

Names & synonyms

SCHEMBL2277386CGSRHQHUULGPSA-UHFFFAOYSA-N7-phenylethynyl-2-(3,4,5-trimethoxy-phenyl)-5H-pyrrolo[2,3-b]pyrazine

Database identifiers

PubChem CID
59540554

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
69.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
29

Related reactions

4 records
New reaction record

Compound notes

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