1-(2-fluoro-4-methanesulfonyl-phenyl)-4-(piperidin-4-yloxy)-1H-pyrazolo[3,4-d]pyrimidine

HCID 21897553
NotesReactions
Substructure searchFind similar structures

Basic information

Standard SMILES
CS(=O)(=O)c1ccc(-n2ncc3c(OC4CCNCC4)ncnc32)c(F)c1
InChIKey
SRQNLAIUMTWUSC-UHFFFAOYSA-N
Molecular formula
C17H18FN5O3S
Average molar mass
391.4 g/mol

Names & identifiers

Preferred name
1-(2-fluoro-4-methanesulfonyl-phenyl)-4-(piperidin-4-yloxy)-1H-pyrazolo[3,4-d]pyrimidine
IUPAC
1-(2-fluoro-4-methylsulfonylphenyl)-4-piperidin-4-yloxypyrazolo[5,4-d]pyrimidine

Names & synonyms

SCHEMBL1243498SRQNLAIUMTWUSC-UHFFFAOYSA-N1-(2-fluoro-4-methanesulfonyl-phenyl)-4-(piperidin-4-yloxy)-1H-pyrazolo[3,4-d]pyrimidine

Database identifiers

PubChem CID
21897553

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
107 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
8
Rotatable bonds
4
Heavy atoms
27

Related reactions

18 records
New reaction record

Compound notes

Loading…