Basic information
- Standard SMILES
CC(C)C[C@@H](Nc1cc2c(c(-c3cnn(C)c3)n1)C(=O)NC2)C(N)=O- InChIKey
WCEHKVNTHSOADA-GFCCVEGCSA-N- Molecular formula
- C17H22N6O2
- Average molar mass
- 342.4 g/mol
Names & identifiers
- Preferred name
- (R)-4-Methyl-2-(4-(1-methyl-1H-pyrazol-4-yl)-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-ylamino)pentanamide
- IUPAC
- (2R)-4-methyl-2-[[4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]pentanamide
Names & synonyms
SCHEMBL1994351WCEHKVNTHSOADA-GFCCVEGCSA-NBDBM620176US20230295171, Example 36(R)-4-Methyl-2-(4-(1-methyl-1H-pyrazol-4-yl)-3-oxo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-6-ylamino)pentanamide
Database identifiers
- PubChem CID
- 58317577
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 513
Related reactions
3 records
Compound notes
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