Basic information
- Standard SMILES
CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncc(F)cc34)nc(I)c21- InChIKey
UFSWTRYDYJIJTD-UHFFFAOYSA-N- Molecular formula
- C21H15F2IN6O
- Average molar mass
- 532.3 g/mol
- Monoisotopic mass
- 532.03201
Names & identifiers
- Preferred name
- 2-[5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-iodo-5,5-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
- IUPAC
- 2-[5-fluoro-1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-4-iodo-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
Names & synonyms
SCHEMBL326432UFSWTRYDYJIJTD-UHFFFAOYSA-N2-[5-Fluoro-1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-4-iodo-5,5-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
Database identifiers
- PubChem CID
- 86705366
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 85.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 701
Related reactions
3 records
Compound notes
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