Basic information
- Standard SMILES
CC(C)(C)Cn1c(Cc2ccc(CS(N)(=O)=O)cc2)cc2cnc(C#N)nc21- InChIKey
YQCCSCKKNHJTKT-UHFFFAOYSA-N- Molecular formula
- C20H23N5O2S
- Average molar mass
- 397.5 g/mol
Names & identifiers
- Preferred name
- {4-[2-Cyano-7-(2,2-dimethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidin-6-ylmethyl]-phenyl}-methanesulfonamide
- IUPAC
- [4-[[2-cyano-7-(2,2-dimethylpropyl)pyrrolo[2,3-d]pyrimidin-6-yl]methyl]phenyl]methanesulfonamide
Names & synonyms
YQCCSCKKNHJTKT-UHFFFAOYSA-N{4-[2-Cyano-7-(2,2-dimethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidin-6-ylmethyl]-phenyl}-methanesulfonamide
Database identifiers
- PubChem CID
- 86628142
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 682
Related reactions
1 records
Compound notes
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