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Basic information
- Standard SMILES
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc(CC(N)=O)cn1- InChIKey
PHNBRYBPEMWXFQ-UHFFFAOYSA-N- Molecular formula
- C29H29F3N6O2
- Average molar mass
- 550.6 g/mol
- Monoisotopic mass
- 550.23040868
Names & identifiers
- Preferred name
- 3-{[5-(2-amino-2-oxoethyl)pyrazin-2-yl]ethynyl}-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide
- IUPAC
- 3-[2-[5-(2-amino-2-oxoethyl)pyrazin-2-yl]ethynyl]-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
Names & synonyms
3-{[5-(2-amino-2-oxoethyl)pyrazin-2-yl]ethynyl}-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamideSCHEMBL4097590
Database identifiers
- PubChem CID
- 57775113
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 941
Related reactions
2 records
Compound notes
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