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Basic information
- Standard SMILES
O=C(Nc1cc(-c2cnc3c(cnn3S(=O)(=O)c3ccccc3)c2)cc2c1cnn2S(=O)(=O)c1ccccc1)c1csc(CCl)n1- InChIKey
HTPRIFONTYXCSG-UHFFFAOYSA-N- Molecular formula
- C30H20ClN7O5S3
- Average molar mass
- 690.2 g/mol
Names & identifiers
- Preferred name
- 2-(Chloromethyl)-N-{1-(phenylsulfonyl)-6-[1-(phenylsulfonyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-4-yl}-1,3-thiazole-4-carboxamide
- IUPAC
- N-[1-(benzenesulfonyl)-6-[1-(benzenesulfonyl)pyrazolo[3,4-b]pyridin-5-yl]indazol-4-yl]-2-(chloromethyl)-1,3-thiazole-4-carboxamide
Names & synonyms
SCHEMBL2216932HTPRIFONTYXCSG-UHFFFAOYSA-N2-(Chloromethyl)-N-{1-(phenylsulfonyl)-6-[1-(phenylsulfonyl)-1H-pyrazolo[3,4-b]pyridin-5-yl]-1H-indazol-4-yl}-1,3-thiazole-4-carboxamide
Database identifiers
- PubChem CID
- 58356366
Properties
Computed structural propertiesFilling in
- XLogP
- 5.2
- Topological polar surface area
- 204 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,300
Related reactions
2 records
Compound notes
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