Basic information
- Standard SMILES
COc1ccc2c(-c3cc(F)cc(F)c3)nc(Nc3cc[nH]n3)cc2c1- InChIKey
DYXYAFCPZYMJSH-UHFFFAOYSA-N- Molecular formula
- C19H14F2N4O
- Average molar mass
- 352.3 g/mol
- Monoisotopic mass
- 352.11356741
Names & identifiers
- Preferred name
- [1-(3,5-difluoro-phenyl)-6-methoxy-isoquinolin-3-yl]-(1H-pyrazol-3-yl)-amine
- IUPAC
- 1-(3,5-difluorophenyl)-6-methoxy-N-(1H-pyrazol-5-yl)isoquinolin-3-amine
Names & synonyms
SCHEMBL3969608DYXYAFCPZYMJSH-UHFFFAOYSA-N[1-(3,5-difluoro-phenyl)-6-methoxy-isoquinolin-3-yl]-(1H-pyrazol-3-yl)-amine
Database identifiers
- PubChem CID
- 23633231
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 461
Related reactions
2 records
Linked notes
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