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Basic information
- Standard SMILES
Cc1ccc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2cnccn12- InChIKey
LUGNORFTBOIQFV-UHFFFAOYSA-N- Molecular formula
- C29H27F3N6O
- Average molar mass
- 532.6 g/mol
- Monoisotopic mass
- 532.21984399
Names & identifiers
- Preferred name
- 3-(Imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
- IUPAC
- 3-(2-imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
Names & synonyms
CHEMBL11718363-(Imidazo[1,2-a]pyrazin-3-ylethynyl)-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide3-(2-{imidazo[1,2-a]pyrazin-3-yl}ethynyl)-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide3-[2-(Imidazo[1,2-a]pyrazin-3-yl)ethynyl]-4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide943319-55-9SCHEMBL589660SCHEMBL31620722BDBM50322561EBC-117021EN300-7563261
Database identifiers
- PubChem CID
- 24826558
- ChEMBL
CHEMBL1171836
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 910
Related reactions
14 records
Compound notes
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