Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2ccc3c(Nc4ccc5cn[nH]c5c4)nc(Nc4ccc(S(N)(=O)=O)cc4)nc32)cc1- InChIKey
HRKBCXWDJKLYRY-UHFFFAOYSA-N- Molecular formula
- C26H22N8O4S2
- Average molar mass
- 574.6 g/mol
Names & identifiers
- Preferred name
- 4-(4-(1H-indazol-6-ylamino)-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)benzenesulfonamide
- IUPAC
- 4-[[4-(1H-indazol-6-ylamino)-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]benzenesulfonamide
Names & synonyms
SCHEMBL3280304HRKBCXWDJKLYRY-UHFFFAOYSA-N4-(4-(1H-indazol-6-ylamino)-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-2-ylamino)benzenesulfonamide
Database identifiers
- PubChem CID
- 68579482
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 195 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 7
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,080
Related reactions
4 records
Compound notes
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