EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:43835 - (3R,4R)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine

ChEBI IDCHEBI:43835
ChEBI Name(3R,4R)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine
Stars
ASCII Name(3R,4R)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine
Last Modified16 May 2008
DownloadsMolfile
FormulaC22H21F3N4O2S
Net Charge0
Average Mass462.497
Monoisotopic Mass462.13373
SMILES[H]c1nc(-c2c([H])c([H])c([H])c(S(=O)(=O)C([H])([H])[H])c2[H])c([H])c(N2C([H])([H])C([H])([H])[C@]([H])(c3c([H])c(F)c(F)c([H])c3F)[C@@]([H])(N([H])[H])C2([H])[H])n1
InChIInChI=1S/C22H21F3N4O2S/c1-32(30,31)14-4-2-3-13(7-14)21-10-22(28-12-27-21)29-6-5-15(20(26)11-29)16-8-18(24)19(25)9-17(16)23/h2-4,7-10,12,15,20H,5-6,11,26H2,1H3/t15-,20+/m1/s1
InChIKeyGOBIXGZJSMAOFV-QRWLVFNGSA-N
ChEBI Ontology
Outgoing Relation(s)
(3R,4R)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine (CHEBI:43835) is a aminopiperidine (CHEBI:48588)
(3R,4R)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine (CHEBI:43835) is a aminopyrimidine (CHEBI:38338)
(3R,4R)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine (CHEBI:43835) is a heteroarylpiperidine (CHEBI:48585)
(3R,4R)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-amine (CHEBI:43835) is a organofluorine compound (CHEBI:37143)
Synonyms  Source
(3R,4R)-1-{6-[3-(METHYLSULFONYL)PHENYL]PYRIMIDIN-4-YL}-4-(2,4,5-TRIFLUOROPHENYL)PIPERIDIN-3-AMINEPDBeChem
(3R,4R)-1-{6-[3-(methylsulfonyl)phenyl]pyrimidin-4-yl}-4-(2,4,5-trifluorophenyl)piperidin-3-aminePDBeChem
Manual XrefsDatabases
MA9PDBeChem