Basic information
- Standard SMILES
COc1cc(OC)c(F)c(-c2cc3[nH]nc(-c4ccc5c(c4)CCNC5=O)c3cn2)c1F- InChIKey
ISTAYZQVKOJTKJ-UHFFFAOYSA-N- Molecular formula
- C23H18F2N4O3
- Average molar mass
- 436.4 g/mol
- Monoisotopic mass
- 436.13469677
Names & identifiers
- Preferred name
- 6-[6-(2,6-Difluoro-3,5-dimethoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydroisoquinolin-1(2H)-one
- IUPAC
- 6-[6-(2,6-difluoro-3,5-dimethoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-isoquinolin-1-one
Names & synonyms
SCHEMBL15796041ISTAYZQVKOJTKJ-UHFFFAOYSA-N6-[6-(2,6-Difluoro-3,5-dimethoxyphenyl)-1H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydroisoquinolin-1(2H)-one
Database identifiers
- PubChem CID
- 76284792
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 89.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 672
Related reactions
1 records
Compound notes
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