Basic information
- Standard SMILES
COc1cc2cc(Nc3cc(C)[nH]n3)nc(OC(C)C)c2cc1F- InChIKey
GHYSNAZVIXYICU-UHFFFAOYSA-N- Molecular formula
- C17H19FN4O2
- Average molar mass
- 330.36 g/mol
Names & identifiers
- Preferred name
- (7-Fluoro-1-isopropoxy-6-methoxy-isoquinolin-3-yl)-(5-methyl-1H-pyrazol-3-yl)-amine
- IUPAC
- 7-fluoro-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-propan-2-yloxyisoquinolin-3-amine
Names & synonyms
SCHEMBL3969123GHYSNAZVIXYICU-UHFFFAOYSA-N(7-Fluoro-1-isopropoxy-6-methoxy-isoquinolin-3-yl)-(5-methyl-1H-pyrazol-3-yl)-amine
Database identifiers
- PubChem CID
- 57799513
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 414
Related reactions
5 records
Compound notes
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