(S)-2-amino-4-((1-(8-(5-methoxypyridin-3-yl)-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)ethyl)amino)pyrimidine-5-carbonitrile
Basic information
- Standard SMILES
COc1cncc(-c2cccc3cc([C@H](C)Nc4nc(N)ncc4C#N)n(-c4ccccc4)c(=O)c23)c1- InChIKey
NVJBIXUVZDZNEE-KRWDZBQOSA-N- Molecular formula
- C28H23N7O2
- Average molar mass
- 489.5 g/mol
Names & identifiers
- Preferred name
- (S)-2-amino-4-((1-(8-(5-methoxypyridin-3-yl)-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)ethyl)amino)pyrimidine-5-carbonitrile
- IUPAC
- 2-amino-4-[[(1S)-1-[8-(5-methoxy-3-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL14719228NVJBIXUVZDZNEE-KRWDZBQOSA-N(S)-2-amino-4-((1-(8-(5-methoxypyridin-3-yl)-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)ethyl)amino)pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 71270277
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 881
Related reactions
4 records
Compound notes
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