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Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2c(I)cc3c4c(cnc32)cnn4C)cc1- InChIKey
WWRBDQKHTVQXFP-UHFFFAOYSA-N- Molecular formula
- C16H13IN4O2S
- Average molar mass
- 452.3 g/mol
- Monoisotopic mass
- 451.98039
Names & identifiers
- Preferred name
- 7-Iodo-1-methyl-6-tosyl-1,6-dihydropyrazolo[3,4-d]pyrrolo[2,3-b]pyridine
- IUPAC
- 11-iodo-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
Names & synonyms
SCHEMBL2318104WWRBDQKHTVQXFP-UHFFFAOYSA-N7-iodo-1-methyl-6-tosyl-1,6-dihydropyrazolo[3,4-d]pyrrolo[2,3-b]pyridine
Database identifiers
- PubChem CID
- 58009986
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 575
Related reactions
12 records
Compound notes
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