[1-(3-fluoro-phenylsulfanyl)-6-methoxy-isoquinolin-3-yl]-(5-methyl-1H-pyrazol-3-yl)-amine

HCID 57799542
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Basic information

Standard SMILES
COc1ccc2c(Sc3cccc(F)c3)nc(Nc3cc(C)[nH]n3)cc2c1
InChIKey
JCUAIAIUETULSJ-UHFFFAOYSA-N
Molecular formula
C20H17FN4OS
Average molar mass
380.4 g/mol

Names & identifiers

Preferred name
[1-(3-fluoro-phenylsulfanyl)-6-methoxy-isoquinolin-3-yl]-(5-methyl-1H-pyrazol-3-yl)-amine
IUPAC
1-(3-fluorophenyl)sulfanyl-6-methoxy-N-(5-methyl-1H-pyrazol-3-yl)isoquinolin-3-amine

Names & synonyms

SCHEMBL3967231JCUAIAIUETULSJ-UHFFFAOYSA-N[1-(3-fluoro-phenylsulfanyl)-6-methoxy-isoquinolin-3-yl]-(5-methyl-1H-pyrazol-3-yl)-amine

Database identifiers

PubChem CID
57799542

Properties

Computed structural properties

XLogP
5.5
Topological polar surface area
88.1 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
6
Rotatable bonds
5
Heavy atoms
27

Related reactions

2 records
New reaction record

Compound notes

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