Basic information
- Standard SMILES
Cn1nc(-c2cccc(N3Cc4cc(C(C)(C)C)ccc4C3=O)c2CO)cc(Nc2ccncn2)c1=O- InChIKey
KZONUZATFRWENW-UHFFFAOYSA-N- Molecular formula
- C28H28N6O3
- Average molar mass
- 496.6 g/mol
Names & identifiers
- Preferred name
- 5-tert-Butyl-2-(2-(hydroxymethyl)-3-(1-methyl-6-oxo-5-(pyrimidin-4-ylamino)-1,6-dihydropyridazin-3-yl)phenyl)isoindolin-1-one
- IUPAC
- 5-tert-butyl-2-[2-(hydroxymethyl)-3-[1-methyl-6-oxo-5-(pyrimidin-4-ylamino)pyridazin-3-yl]phenyl]-3H-isoindol-1-one
Names & synonyms
SCHEMBL15284347KZONUZATFRWENW-UHFFFAOYSA-N5-tert-Butyl-2-(2-(hydroxymethyl)-3-(1-methyl-6-oxo-5-(pyrimidin-4-ylamino)-1,6-dihydropyridazin-3-yl)phenyl)isoindolin-1-one
Database identifiers
- PubChem CID
- 56929142
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 943
Related reactions
2 records
Compound notes
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