2-amino-4-((S)-1-(8-(5-hydroxypyridin-3-yl)-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)ethylamino)pyrimidine-5-carbonitrile
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
C[C@H](Nc1nc(N)ncc1C#N)c1cc2cccc(-c3cncc(O)c3)c2c(=O)n1-c1ccccc1- InChIKey
PJBGOWJFEARONW-INIZCTEOSA-N- Molecular formula
- C27H21N7O2
- Average molar mass
- 475.5 g/mol
- Monoisotopic mass
- 475.17567294
Names & identifiers
- Preferred name
- 2-amino-4-((S)-1-(8-(5-hydroxypyridin-3-yl)-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)ethylamino)pyrimidine-5-carbonitrile
- IUPAC
- 2-amino-4-[[(1S)-1-[8-(5-hydroxy-3-pyridinyl)-1-oxo-2-phenylisoquinolin-3-yl]ethyl]amino]pyrimidine-5-carbonitrile
Names & synonyms
SCHEMBL14719548PJBGOWJFEARONW-INIZCTEOSA-N2-amino-4-((S)-1-(8-(5-hydroxypyridin-3-yl)-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)ethylamino)pyrimidine-5-carbonitrile
Database identifiers
- PubChem CID
- 71270472
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 865
Related reactions
2 records
Compound notes
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