Dimethylethyl 5-[5,6-dihydro-5-oxo-pyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-6-yl]-alpha-cyano-2-pyridineacetate

HCID 57767017
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Basic information

Standard SMILES
CC(C)(C)OC(=O)C(C#N)c1ccc(-n2c(=O)c3ccccc3c3nc4ccccn4c32)cn1
InChIKey
RRAKLAJGGVPUGY-UHFFFAOYSA-N
Molecular formula
C26H21N5O3
Average molar mass
451.5 g/mol

Names & identifiers

Preferred name
Dimethylethyl 5-[5,6-dihydro-5-oxo-pyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-6-yl]-alpha-cyano-2-pyridineacetate
IUPAC
tert-butyl 2-cyano-2-[5-(8-oxo-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaen-9-yl)-2-pyridinyl]acetate

Names & synonyms

SCHEMBL2268845RRAKLAJGGVPUGY-UHFFFAOYSA-Ndimethylethyl 5-[5,6-dihydro-5-oxo-pyrido[2',1':2,3]imidazo[4,5-c]isoquinolin-6-yl]-alpha-cyano-2-pyridineacetate

Database identifiers

PubChem CID
57767017

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
101 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
34

Related reactions

2 records
New reaction record

Linked notes

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