3-(Tert-butylamino)-2-(5-(phenylethynyl)thiophen-2-yl)imidazo[1,2-a]pyrazine-8-carboxylic acid

HCID 69322909
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Basic information

Standard SMILES
CC(C)(C)Nc1c(-c2ccc(C#Cc3ccccc3)s2)nc2c(C(=O)O)nccn12
InChIKey
FKNWOXWUNGQTGI-UHFFFAOYSA-N
Molecular formula
C23H20N4O2S
Average molar mass
416.5 g/mol

Names & identifiers

Preferred name
3-(Tert-butylamino)-2-(5-(phenylethynyl)thiophen-2-yl)imidazo[1,2-a]pyrazine-8-carboxylic acid
IUPAC
3-(tert-butylamino)-2-[5-(2-phenylethynyl)thiophen-2-yl]imidazo[1,2-a]pyrazine-8-carboxylic acid

Names & synonyms

SCHEMBL5129535FKNWOXWUNGQTGI-UHFFFAOYSA-N3-(tert-butylamino)-2-(5-(phenylethynyl)thiophen-2-yl)imidazo[1,2-a]pyrazine-8-carboxylic acid

Database identifiers

PubChem CID
69322909

Properties

Computed structural properties

XLogP
5.3
Topological polar surface area
108 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
30

Related reactions

2 records
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Compound notes

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