Basic information
- Standard SMILES
Cc1cc2n(C(=O)c3ccccc3)c(=O)c3cnc4c(cnn4-c4ccccc4)c3n2n1- InChIKey
IWKOLIJQARKHMN-UHFFFAOYSA-N- Molecular formula
- C24H16N6O2
- Average molar mass
- 420.4 g/mol
- Monoisotopic mass
- 420.13347377
Names & identifiers
- Preferred name
- 4-Benzoyl-2-methyl-8-phenyl-4H-pyrazolo[1,5-a]pyrazolo-[4',3':5,6]pyrido[3,4-e]pyrimidin-5(8H)-one
- IUPAC
- 7-benzoyl-4-methyl-13-phenyl-2,3,7,11,13,14-hexazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(16),3,5,9,11,14-hexaen-8-one
Names & synonyms
SCHEMBL11602454IWKOLIJQARKHMN-UHFFFAOYSA-N4-Benzoyl-2-methyl-8-phenyl-4H-pyrazolo[1,5-a]pyrazolo-[4',3':5,6]pyrido[3,4-e]pyrimidin-5(8H)-one
Database identifiers
- PubChem CID
- 22757465
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 85.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 736
Related reactions
4 records
Compound notes
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