Basic information
- Standard SMILES
CN1CCc2cccc(Nc3cc(Nc4cnn(CC(=O)O)c4)ncc3F)c2C1=O- InChIKey
KGJPOBUWRPMMCW-UHFFFAOYSA-N- Molecular formula
- C20H19FN6O3
- Average molar mass
- 410.4 g/mol
Names & identifiers
- Preferred name
- 2-[4-[[5-Fluoro-4-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)amino]pyridin-2-yl]amino]pyrazol-1-yl]acetic acid
- IUPAC
- 2-[4-[[5-fluoro-4-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)amino]-2-pyridinyl]amino]pyrazol-1-yl]acetic acid
Names & synonyms
SCHEMBL1557877KGJPOBUWRPMMCW-UHFFFAOYSA-N2-[4-[[5-fluoro-4-[(2-methyl-1-oxo-3,4-dihydroisoquinolin-8-yl)amino]pyridin-2-yl]amino]pyrazol-1-yl]acetic acid
Database identifiers
- PubChem CID
- 67075413
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 640
Related reactions
2 records
Compound notes
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