Basic information
- Standard SMILES
CN1CCN(Cc2ccc(-c3cc4onc(-c5ccccc5)c4c(=O)n3C)cc2)CC1- InChIKey
DGAIEYJJQNSIGM-UHFFFAOYSA-N- Molecular formula
- C25H26N4O2
- Average molar mass
- 414.5 g/mol
Names & identifiers
- Preferred name
- 5-Methyl-6-[4-(4-methyl-piperazin-1-ylmethyl)-phenyl]-3-phenyl-5H-isoxazolo[4,5-c]pyridin-4-one
- IUPAC
- 5-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-3-phenyl-[1,2]oxazolo[4,5-c]pyridin-4-one
Names & synonyms
CHEMBL393713SCHEMBL2483309DGAIEYJJQNSIGM-UHFFFAOYSA-NBDBM503712055-Methyl-6-[4-(4-methyl-piperazin-1-ylmethyl)-phenyl]-3-phenyl-5H-isoxazolo[4,5-c]pyridin-4-one
Database identifiers
- PubChem CID
- 11223729
- ChEMBL
CHEMBL393713
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 52.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 660
Related reactions
1 records
Compound notes
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