Basic information
- Standard SMILES
CC(C)(C)NC(=O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2ncc(-c3nn(CCCS(C)(=O)=O)c4cc(F)ccc34)nc12- InChIKey
CFISJHVQNLFORK-UHFFFAOYSA-N- Molecular formula
- C41H39FN6O3S
- Average molar mass
- 714.9 g/mol
- Monoisotopic mass
- 714.27883846
Names & identifiers
- Preferred name
- N-tert-butyl-2-(6-fluoro-1-(3-(methylsulfonyl)propyl)-1H-indazol-3-yl)-5-trityl-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
- IUPAC
- N-tert-butyl-2-[6-fluoro-1-(3-methylsulfonylpropyl)indazol-3-yl]-5-tritylpyrrolo[2,3-b]pyrazine-7-carboxamide
Names & synonyms
SCHEMBL14738216CFISJHVQNLFORK-UHFFFAOYSA-NN-tert-butyl-2-(6-fluoro-1-(3-(methylsulfonyl)propyl)-1H-indazol-3-yl)-5-trityl-5H-pyrrolo[3,2-b]pyrazine-7-carboxamide
Database identifiers
- PubChem CID
- 71280274
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 52
- Formal charge
- 0
- Complexity
- 1,260
Related reactions
2 records
Compound notes
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