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Basic information
- Standard SMILES
Cn1cc(-c2cccc(N3Cc4cc(C(C)(C)C)ccc4C3=O)c2CO)nc(Nc2cnn(C3CC3)c2)c1=O- InChIKey
DMLQSPKHUIQTOT-UHFFFAOYSA-N- Molecular formula
- C30H32N6O3
- Average molar mass
- 524.6 g/mol
Names & identifiers
- Preferred name
- 5-tert-Butyl-2-(3-(6-(1-cyclopropyl-1H-pyrazol-4-ylamino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-(hydroxymethyl)phenyl)isoindolin-1-one
- IUPAC
- 5-tert-butyl-2-[3-[6-[(1-cyclopropylpyrazol-4-yl)amino]-4-methyl-5-oxopyrazin-2-yl]-2-(hydroxymethyl)phenyl]-3H-isoindol-1-one
Names & synonyms
SCHEMBL15329459DMLQSPKHUIQTOT-UHFFFAOYSA-N5-tert-Butyl-2-(3-(6-(1-cyclopropyl-1H-pyrazol-4-ylamino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-(hydroxymethyl)phenyl)isoindolin-1-one
Database identifiers
- PubChem CID
- 86699862
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
1 records
Compound notes
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