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Basic information
- Standard SMILES
Cn1cc(-c2ccnc3[nH]ccc23)nc1C(C)(C)C.O=C(O)C(F)(F)F- InChIKey
JNTROEQRICJRSI-UHFFFAOYSA-N- Molecular formula
- C17H19F3N4O2
- Average molar mass
- 368.35 g/mol
- Monoisotopic mass
- 368.14601035
Names & identifiers
- Preferred name
- 4-(2-tert-butyl-1-methyl-1H-imidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, trifluoroacetate salt
- IUPAC
- 4-(2-tert-butyl-1-methylimidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;2,2,2-trifluoroacetic acid
Names & synonyms
4-(2-tert-butyl-1-methyl-1H-imidazol-4-yl)-1H-pyrrolo[2,3-b]pyridine, trifluoroacetate saltSCHEMBL2144972SCHEMBL29540553
Database identifiers
- PubChem CID
- 67293441
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 83.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 408
Related reactions
7 records
Compound notes
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