Basic information
- Standard SMILES
Cc1cc(Nc2cc(-c3cccc(N4Cc5cc(C(C)(C)C)ccc5C4=O)c3CO)cn(C)c2=O)nn1C- InChIKey
BPCLUQDTXRDDNG-UHFFFAOYSA-N- Molecular formula
- C30H33N5O3
- Average molar mass
- 511.6 g/mol
Names & identifiers
- Preferred name
- 5-tert-Butyl-2-(3-(5-(1,5-dimethyl-1H-pyrazol-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl)isoindolin-1-one
- IUPAC
- 5-tert-butyl-2-[3-[5-[(1,5-dimethylpyrazol-3-yl)amino]-1-methyl-6-oxo-3-pyridinyl]-2-(hydroxymethyl)phenyl]-3H-isoindol-1-one
Names & synonyms
SCHEMBL174629BPCLUQDTXRDDNG-UHFFFAOYSA-N5-tert-Butyl-2-(3-(5-(1,5-dimethyl-1H-pyrazol-3-ylamino)-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-2-(hydroxymethyl)phenyl)isoindolin-1-one
Database identifiers
- PubChem CID
- 56928443
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 987
Related reactions
2 records
Compound notes
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