Basic information
- Standard SMILES
CC(C)(C)NC(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncc(-c3n[nH]c4cc(F)ccc34)nc12- InChIKey
BIKVFRFQDNEOHZ-UHFFFAOYSA-N- Molecular formula
- C37H31FN6O
- Average molar mass
- 594.7 g/mol
Names & identifiers
- Preferred name
- N-tert-butyl-2-(6-fluoro-1H-indazol-3-yl)-5-trityl-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
- IUPAC
- N-tert-butyl-2-(6-fluoro-1H-indazol-3-yl)-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
SCHEMBL14738398BIKVFRFQDNEOHZ-UHFFFAOYSA-NN-tert-butyl-2-(6-fluoro-1H-indazol-3-yl)-5-trityl-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
Database identifiers
- PubChem CID
- 71280404
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 88.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 956
Related reactions
3 records
Compound notes
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