Methyl 2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2,6-difluorobiphenyl-4-yl)acetate

HCID 59627664

Basic information

CAS
1259023-32-9
Standard SMILES
COC(=O)Cc1cc(F)c(-c2ccc(-c3nc(C(N)=O)c(C)nc3C)cc2)c(F)c1
InChIKey
XYIYYNPIEALFPE-UHFFFAOYSA-N
Molecular formula
C22H19F2N3O3
Average molar mass
411.4 g/mol
Monoisotopic mass
411.13944791

Names & identifiers

Preferred name
Methyl 2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2,6-difluorobiphenyl-4-yl)acetate
IUPAC
methyl 2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl]-3,5-difluorophenyl]acetate

Names & synonyms

SCHEMBL2124770XYIYYNPIEALFPE-UHFFFAOYSA-NDTXSID601110155methyl 2-(4'-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)-2,6-difluorobiphenyl-4-yl)acetate1259023-32-9[1,1a(2)-Biphenyl]-4-acetic acid, 4a(2)-[6-(aminocarbonyl)-3,5-dimethyl-2-pyrazinyl]-2,6-difluoro-, methyl ester

Database identifiers

CAS
1259023-32-9
PubChem CID
59627664
DTXSID
DTXSID601110155

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
95.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
30

Related reactions

4 records

Compound notes

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