EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:45456 - 1-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-ol

ChEBI IDCHEBI:45456
ChEBI Name1-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-ol
Stars
ASCII Name1-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-ol
Last Modified16 May 2008
DownloadsMolfile
FormulaC25H27N5O2
Net Charge0
Average Mass429.524
Monoisotopic Mass429.21648
SMILES[H]OC1([H])C([H])([H])C([H])([H])N(C([H])([H])c2c([H])c([H])c(-n3c([H])c(-c4c([H])c([H])c([H])c(OC([H])([H])[H])c4[H])c4c(N([H])[H])nc([H])nc43)c([H])c2[H])C([H])([H])C1([H])[H]
InChIInChI=1S/C25H27N5O2/c1-32-21-4-2-3-18(13-21)22-15-30(25-23(22)24(26)27-16-28-25)19-7-5-17(6-8-19)14-29-11-9-20(31)10-12-29/h2-8,13,15-16,20,31H,9-12,14H2,1H3,(H2,26,27,28)
InChIKeyWUYMUVBIVVABRN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
1-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-ol (CHEBI:45456) is a hydroxypiperidine (CHEBI:48590)
1-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-ol (CHEBI:45456) is a pyrrolopyrimidine (CHEBI:38670)
Synonyms  Source
1-{4-[4-AMINO-5-(3-METHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-4-OLPDBeChem
1-{4-[4-amino-5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-7-yl]benzyl}piperidin-4-olPDBeChem
Manual XrefsDatabases
S03PDBeChem