Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2ccc3c2ncc2cnc([C@@H]4CN(C(=O)OC(C)(C)C)CC[C@@H]4C)n23)cc1- InChIKey
XSHZCWNHAWPEON-GHTZIAJQSA-N- Molecular formula
- C26H31N5O4S
- Average molar mass
- 509.6 g/mol
- Monoisotopic mass
- 509.20967566
Names & identifiers
- Preferred name
- cis-tert-butyl-4-methyl-3-(6-tosyl-6H-imidazo[1, 5-a]pyrrolo[2,3-e]pyrazin-1-yl)piperidine-1-carboxylate
- IUPAC
- tert-butyl (3S,4S)-4-methyl-3-[5-(4-methylphenyl)sulfonyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL12034137XSHZCWNHAWPEON-GHTZIAJQSA-Ncis-tert-butyl-4-methyl-3-(6-tosyl-6H-imidazo[1, 5-a]pyrrolo[2,3-e]pyrazin-1-yl)piperidine-1-carboxylatecis-tert-butyl-4-methyl-3-(6-tosyl-6H-imidazo[1,5-a]pyrrolo[2,3-e]pyrazin-1-yl)piperidine-1-carboxylate
Database identifiers
- PubChem CID
- 58557992
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 910
Related reactions
1 records
Compound notes
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