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CHEBI:43726 - 4-(4-fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3H-pyrazol-3-one

ChEBI IDCHEBI:43726
ChEBI Name4-(4-fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3H-pyrazol-3-one
Stars
ASCII Name4-(4-fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3H-pyrazol-3-one
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H29FN6O
Net Charge0
Average Mass472.568
Monoisotopic Mass472.23869
SMILES[H]c1nc(N([H])[C@]([H])(c2c([H])c([H])c([H])c([H])c2[H])C([H])([H])[H])nc(-c2c(-c3c([H])c([H])c(F)c([H])c3[H])c(=O)n(C3([H])C([H])([H])C([H])([H])N([H])C([H])([H])C3([H])[H])n2C([H])([H])[H])c1[H]
InChIInChI=1S/C27H29FN6O/c1-18(19-6-4-3-5-7-19)31-27-30-17-14-23(32-27)25-24(20-8-10-21(28)11-9-20)26(35)34(33(25)2)22-12-15-29-16-13-22/h3-11,14,17-18,22,29H,12-13,15-16H2,1-2H3,(H,30,31,32)/t18-/m0/s1
InChIKeyOYTOWRNFVUUVHK-SFHVURJKSA-N
ChEBI Ontology
Outgoing Relation(s)
4-(4-fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3H-pyrazol-3-one (CHEBI:43726) is a aminopyrimidine (CHEBI:38338)
4-(4-fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3H-pyrazol-3-one (CHEBI:43726) is a organofluorine compound (CHEBI:37143)
4-(4-fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3H-pyrazol-3-one (CHEBI:43726) is a pyrazolylpiperidine (CHEBI:48654)
Synonyms  Source
4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONEPDBeChem
4-(4-fluorophenyl)-1-methyl-5-(2-{[(1S)-1-phenylethyl]amino}pyrimidin-4-yl)-2-piperidin-4-yl-1,2-dihydro-3H-pyrazol-3-onePDBeChem
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