3-ethynyl-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
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Basic information
- Standard SMILES
C#Cc1cc(C(=O)Nc2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)ccc1C- InChIKey
BYPNAYSWCCERGN-UHFFFAOYSA-N- Molecular formula
- C23H24F3N3O
- Average molar mass
- 415.5 g/mol
Names & identifiers
- Preferred name
- 3-ethynyl-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide
- IUPAC
- 3-ethynyl-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
Names & synonyms
3-ethynyl-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)benzamide957147-18-1CHEMBL4094827Ponatinib Rc 53-Ethynyl-4-methyl-N-[4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-benzamide3-ethynyl-4-methyl-N-{4-(4-methyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl}-benzamidePonatinib Impurity N72SCHEMBL4103102SCHEMBL29856181BDBM50242172NSC805851NSC-805851
Show more names
DB-212156H668553-ethynyl-4-methyl-N-[4-((4-methylpiperazin-1-yl)methyl)-3-trifluoromethylphenyl]benzamide3-ethynyl-4-methyl-N-(4-((4-methylpiperazin-1-yl)methyl)-3-(trifluoromethyl) phenyl)benzamide
Database identifiers
- PubChem CID
- 57737398
- ChEMBL
CHEMBL4094827
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 35.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 635
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Related reactions
8 records
Compound notes
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