Basic information
- Standard SMILES
COc1ccccc1-c1ccc2cnc(Nc3ccc(OCCN4CCN(C)CC4)cc3)nn12.O=C(O)C(F)(F)F- InChIKey
YKQIGCRAARXYID-UHFFFAOYSA-N- Molecular formula
- C28H31F3N6O4
- Average molar mass
- 572.6 g/mol
Names & identifiers
- Preferred name
- 7-(2-methoxyphenyl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;2,2,2-trifluoroacetic acid
- IUPAC
- 7-(2-methoxyphenyl)-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-amine;2,2,2-trifluoroacetic acid
Names & synonyms
YKQIGCRAARXYID-UHFFFAOYSA-N[7-(2-Methoxy-phenyl)-pyrrolo[2,1-f][1,2,4]triazin-2-yl]-{4-[2-(4-methyl-piperazin-1-yl)-ethoxy]-phenyl}-amine; compound with trifluoro-acetic acid
Database identifiers
- PubChem CID
- 86661663
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 694
Related reactions
1 records
Compound notes
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