Basic information
- Standard SMILES
CC1(C)Oc2ccc(C#N)cc2C(n2nc(-c3c(-c4ccccc4)nn4ccccc34)ccc2=O)C1O- InChIKey
PNGOLQCFBYCCIH-UHFFFAOYSA-N- Molecular formula
- C29H23N5O3
- Average molar mass
- 489.5 g/mol
Names & identifiers
- Preferred name
- 3-[2-(2,2-dimethyl-3-hydroxy-6-cyano-3,4-dihydro-2H-chromen-4-yl)-3-oxo-2,3-dihydropyridazin-6-yl]-2-phenylpyrazolo[1,5-a]pyridine
- IUPAC
- 3-hydroxy-2,2-dimethyl-4-[6-oxo-3-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyridazin-1-yl]-3,4-dihydrochromene-6-carbonitrile
Names & synonyms
SCHEMBL7302566PNGOLQCFBYCCIH-UHFFFAOYSA-N3-[2-(2,2-dimethyl-3-hydroxy-6-cyano-3,4-dihydro-2H-chromen-4-yl)-3-oxo-2,3-dihydropyridazin-6-yl]-2-phenylpyrazolo[1,5-a]pyridine3-[2-(2,2-dimethyl-3-hydroxy-6-cyano-3,4-dihydro-2H-chromen-4-yl)-3-oxo-2,3-dihydropyridazin-6-yl]-2phenylpyrazolo[1,5-a]pyridine
Database identifiers
- PubChem CID
- 19009030
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 995
Related reactions
3 records
Compound notes
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