2-amino-4-((S)-1-(8-(5-hydroxypyridin-3-yl)-1-oxo-2-phenyl-1,2-dihydroisoquinolin-3-yl)ethylamino)pyrimidine-5-carbonitrile

HCID 71270472
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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 properties

XLogP
3.7
Topological polar surface area
141 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
36

Related reactions

2 records
New reaction record

Linked notes

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