EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:98611 - (2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-7-pyridin-4-yl-1-(pyridin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide

ChEBI IDCHEBI:98611
ChEBI Name(2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-7-pyridin-4-yl-1-(pyridin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide
Stars
DownloadsMolfile
FormulaC25H24F3N5O3
Net Charge0
Average Mass499.493
Monoisotopic Mass499.18312
SMILESO=C(NCC(F)(F)F)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]2N1Cc1ccncc1
InChIInChI=1S/C25H24F3N5O3/c26-25(27,28)14-31-23(35)22-19(13-34)18-12-32-20(21(18)33(22)11-15-3-7-29-8-4-15)2-1-17(24(32)36)16-5-9-30-10-6-16/h1-10,18-19,21-22,34H,11-14H2,(H,31,35)/t18-,19-,21+,22-/m0/s1
InChIKeyVFFISKNUVGRLDD-MPJJRAAHSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S,3S,3aR,9bR)-3-(hydroxymethyl)-6-oxo-7-pyridin-4-yl-1-(pyridin-4-ylmethyl)-N-(2,2,2-trifluoroethyl)-3,3a,4,9b-tetrahydro-2H-pyrrolo[2,3-a]indolizine-2-carboxamide (CHEBI:98611) is a bipyridines (CHEBI:50511)
Manual XrefsDatabases
LSM-9990LINCS