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Basic information
- Standard SMILES
Cc1cc(Nc2cc3cc(C(=O)N4CCOCC4)ccc3c(-c3ccc(F)cc3F)n2)n[nH]1- InChIKey
PUKDAFZHEBEDJQ-UHFFFAOYSA-N- Molecular formula
- C24H21F2N5O2
- Average molar mass
- 449.5 g/mol
Names & identifiers
- Preferred name
- [1-(2,4-difluoro-phenyl)-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinolin-6-yl]-morpholin-4-yl-methanone
- IUPAC
- [1-(2,4-difluorophenyl)-3-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-6-yl]-morpholin-4-ylmethanone
Names & synonyms
SCHEMBL3967347PUKDAFZHEBEDJQ-UHFFFAOYSA-N[1-(2,4-difluoro-phenyl)-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinolin-6-yl]-morpholin-4-yl-methanone
Database identifiers
- PubChem CID
- 57799771
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 681
Related reactions
1 records
Compound notes
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