N-tert-butyl-2-(4-(2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl)phenylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

HCID 71014190
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CN(C)C(=O)C(C#N)=Cc1ccc(Nc2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)cc1
InChIKey
PXDGIFGYVAPLCW-UHFFFAOYSA-N
Molecular formula
C23H25N7O2
Average molar mass
431.5 g/mol
Monoisotopic mass
431.20697307

Names & identifiers

Preferred name
N-tert-butyl-2-(4-(2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl)phenylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
IUPAC
N-tert-butyl-2-[4-[2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl]anilino]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Names & synonyms

SCHEMBL13858102SCHEMBL13976017PXDGIFGYVAPLCW-UHFFFAOYSA-NN-tert-butyl-2-(4-(2-cyano-3-(dimethylamino)-3-oxoprop-1-enyl)phenylamino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

Database identifiers

PubChem CID
71014190

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
127 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
32

Related reactions

1 records
New reaction record

Compound notes

Loading…