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Basic information
- Standard SMILES
COc1ccc2c(Oc3ccc(NC(C)=O)cc3)nc(Nc3cc(C)[nH]n3)cc2c1OC- InChIKey
QDOGNEDJVZLLFU-UHFFFAOYSA-N- Molecular formula
- C23H23N5O4
- Average molar mass
- 433.5 g/mol
- Monoisotopic mass
- 433.17500423
Names & identifiers
- Preferred name
- N-{4-[5,6-dimethoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinolin-1-yloxy]-phenyl}-acetamide
- IUPAC
- N-[4-[5,6-dimethoxy-3-[(5-methyl-1H-pyrazol-3-yl)amino]isoquinolin-1-yl]oxyphenyl]acetamide
Names & synonyms
SCHEMBL3967789QDOGNEDJVZLLFU-UHFFFAOYSA-NN-{4-[5,6-dimethoxy-3-(5-methyl-1H-pyrazol-3-ylamino)-isoquinolin-1-yloxy]-phenyl}-acetamide
Database identifiers
- PubChem CID
- 57799509
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 617
Related reactions
2 records
Compound notes
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