CHEBI:177416 - Pexacerfont

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Pexacerfont
ChEBI ID CHEBI:177416
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C18H24N6O
Net Charge 0
Average Mass 340.431
Monoisotopic Mass 340.20116
InChI InChI=1S/C18H24N6O/c1-7-10(2)19-18-22-13(5)21-17-16(12(4)23-24(17)18)14-8-9-15(25-6)20-11(14)3/h8-10H,7H2,1-6H3,(H,19,21,22)/t10-/m1/s1
InChIKey LBWQSAZEYIZZCE-SNVBAGLBSA-N
SMILES O(C1=NC(=C(C2=C3N(N=C2C)C(N[C@@H](CC)C)=NC(=N3)C)C=C1)C)C
Metabolite of Species Details
Sus scrofa (NCBI:txid9823) Found in Sausage (ENVO:00002166). See: MetaboLights Study
ChEBI Ontology
Outgoing Pexacerfont (CHEBI:177416) is a pyrazolopyridine (CHEBI:46699)
IUPAC Name
N-[(2R)-butan-2-yl]-8-(6-methoxy-2-methylpyridin-3-yl)-2,7-dimethylpyrazolo[1,5-a][1,3,5]triazin-4-amine
Manual Xrefs Databases
8060040 ChemSpider
D10022 KEGG DRUG
DB12572 KEGG DRUG
View more database links
Registry Number Type Source
459856-18-9 CAS Registry Number ChemIDplus