Basic information
- Standard SMILES
Cn1cc(C=C2C(=O)NN=C2c2ccc3cnccc3n2)c2c(-c3ccccc3)cccc21- InChIKey
ZBQXHJSMQZVDBO-UHFFFAOYSA-N- Molecular formula
- C27H19N5O
- Average molar mass
- 429.5 g/mol
- Monoisotopic mass
- 429.15896025
Names & identifiers
- Preferred name
- 4-[(1-Methyl-4-phenylindol-3-yl)methylene]-3-pyridino[3,4-e]pyridin-2-yl-2-pyrazolin-5-one
- IUPAC
- 4-[(1-methyl-4-phenylindol-3-yl)methylidene]-3-(1,6-naphthyridin-2-yl)-1H-pyrazol-5-one
Names & synonyms
SCHEMBL6858171ZBQXHJSMQZVDBO-UHFFFAOYSA-N4-[(1-methyl-4-phenylindol-3-yl)methylene]-3-pyridino[3,4-e]pyridin-2-yl-2-pyrazolin-5-one
Database identifiers
- PubChem CID
- 69919474
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 802
Related reactions
2 records
Compound notes
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