CHEBI:90625 - 5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine

ChEBI IDCHEBI:90625
ChEBI Name5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Stars
ASCII Name5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
DefinitionAn imidazopyridine that is 4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine in which the amino hydrogen is replaced by a 5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl group. A potent inhibitor of AKT1 kinase.
Last Modified14 July 2016
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FormulaC12H11ClN6
Net Charge0
Average Mass274.715
Monoisotopic Mass274.07337
SMILESClc1cnc2ncnc(N3CCc4ncnc4C3)c12
InChIInChI=1S/C12H11ClN6/c13-7-3-14-11-10(7)12(18-6-17-11)19-2-1-8-9(4-19)16-5-15-8/h3,5-6H,1-2,4H2,(H,15,16)(H,14,17,18)
InChIKeyYFFJXGRXFASBDL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
AKT1 kinase inhibitor  A serine/threonine kinase inhibitor that specifically inhibits RAC-α serine/threonine-protein kinase (ATK1).
ChEBI Ontology
Outgoing Relation(s)
5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CHEBI:90625) has role AKT1 kinase inhibitor (CHEBI:90780)
5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CHEBI:90625) is a aromatic amine (CHEBI:33860)
5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CHEBI:90625) is a imidazopyridine (CHEBI:46908)
5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CHEBI:90625) is a organochlorine compound (CHEBI:36683)
5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CHEBI:90625) is a pyrrolopyrimidine (CHEBI:38670)
5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine (CHEBI:90625) is a tertiary amino compound (CHEBI:50996)
IUPAC Names 
5-(5-chloro-1H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine
Manual XrefsDatabases
CQWPDBeChem
DB07585DrugBank
Registry NumbersSources
Reaxys:25078043Reaxys
Citations