Basic information
- Standard SMILES
CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N3CC(N)C3)c21- InChIKey
UUKXGNVCQBYEPQ-UHFFFAOYSA-N- Molecular formula
- C24H23FN8O
- Average molar mass
- 458.5 g/mol
Names & identifiers
- Preferred name
- 4-(3-Aminoazetidin-1-yl)-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5,5-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
- IUPAC
- 4-(3-aminoazetidin-1-yl)-2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
Names & synonyms
SCHEMBL14746586UUKXGNVCQBYEPQ-UHFFFAOYSA-N4-(3-Aminoazetidin-1-yl)-2-[1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5,5-dimethyl-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
Database identifiers
- PubChem CID
- 71285771
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 778
Related reactions
1 records
Compound notes
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