Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(I)c3c(Nc4ccc5cn[nH]c5c4)nc(Cl)nc32)cc1- InChIKey
WZJLGEIFQMOXKX-UHFFFAOYSA-N- Molecular formula
- C20H14ClIN6O2S
- Average molar mass
- 564.8 g/mol
Names & identifiers
- Preferred name
- 2-chloro-N-(1H-indazol-6-yl)-5-iodo-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
- IUPAC
- 2-chloro-N-(1H-indazol-6-yl)-5-iodo-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-4-amine
Names & synonyms
SCHEMBL3280540WZJLGEIFQMOXKX-UHFFFAOYSA-N2-chloro-N-(1H-indazol-6-yl)-5-iodo-7-tosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 86628040
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 114 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 748
Related reactions
4 records
Compound notes
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