Basic information
- Standard SMILES
CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N3CCC(C(F)(F)F)C3)c21- InChIKey
VRMBXXFGXQOIJT-UHFFFAOYSA-N- Molecular formula
- C26H23F4N7O
- Average molar mass
- 525.5 g/mol
- Monoisotopic mass
- 525.19002103
Names & identifiers
- Preferred name
- 2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-one
- IUPAC
- 2-[1-[(2-fluorophenyl)methyl]pyrazolo[5,4-b]pyridin-3-yl]-5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-6-one
Names & synonyms
2-[1-(2-Fluorobenzyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-5,5-dimethyl-4-[3-(trifluoromethyl)pyrrolidin-1-yl]-5,7-dihydro-6H-pyrrolo[2,3-d]pyrimidin-6-oneSCHEMBL14746489
Database identifiers
- PubChem CID
- 71285706
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 88.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 890
Related reactions
1 records
Compound notes
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