Basic information
- Standard SMILES
COc1ccc2c(Oc3ccc(NC(C)=O)cc3)nc(Nc3cc(C)[nH]n3)cc2c1- InChIKey
SSFNCMIGLBEMEK-UHFFFAOYSA-N- Molecular formula
- C22H21N5O3
- Average molar mass
- 403.4 g/mol
Names & identifiers
- Preferred name
- N-{4-[6-methoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinolin-1-yloxy]-phenyl}-acetamide
- IUPAC
- N-[4-[6-methoxy-3-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-1-yl]oxyphenyl]acetamide
Names & synonyms
SCHEMBL3965081SSFNCMIGLBEMEK-UHFFFAOYSA-NN-{4-[6-methoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinolin-1-yloxy]-phenyl}-acetamide
Database identifiers
- PubChem CID
- 57799813
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 571
Related reactions
2 records
Compound notes
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