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CHEBI:156468 - N-{3-[(5-cyclopropyl-2-{[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide

ChEBI IDCHEBI:156468
ChEBI NameN-{3-[(5-cyclopropyl-2-{[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
Stars
ASCII NameN-{3-[(5-cyclopropyl-2-{[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
DefinitionA member of the class of aminopyrimidines that is pyrimidine in which the hydrogens at positions 2, 4 and 5 have been replaced by [3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]nitrilo, {3-[(cyclobutylcarbonyl)amino]propyl}nitrilo, and cyclopropyl groups, respectively.
Last Modified4 September 2020
Submitteralison.axtman
DownloadsMolfile
FormulaC21H28F3N7O
Net Charge0
Average Mass451.497
Monoisotopic Mass451.23074
SMILESCc1nn(CC(F)(F)F)cc1Nc1ncc(C2CC2)c(NCCCNC(=O)C2CCC2)n1
InChIInChI=1S/C21H28F3N7O/c1-13-17(11-31(30-13)12-21(22,23)24)28-20-27-10-16(14-6-7-14)18(29-20)25-8-3-9-26-19(32)15-4-2-5-15/h10-11,14-15H,2-9,12H2,1H3,(H,26,32)(H2,25,27,28,29)
InChIKeyMHPBLCYPFBBOND-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-{3-[(5-cyclopropyl-2-{[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide (CHEBI:156468) is a aminopyrimidine (CHEBI:38338)
N-{3-[(5-cyclopropyl-2-{[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide (CHEBI:156468) is a cyclopropanes (CHEBI:51454)
N-{3-[(5-cyclopropyl-2-{[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide (CHEBI:156468) is a organofluorine compound (CHEBI:37143)
N-{3-[(5-cyclopropyl-2-{[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide (CHEBI:156468) is a pyrazoles (CHEBI:26410)
N-{3-[(5-cyclopropyl-2-{[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide (CHEBI:156468) is a secondary carboxamide (CHEBI:140325)
IUPAC Name 
N-{3-[(5-cyclopropyl-2-{[3-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]amino}pyrimidin-4-yl)amino]propyl}cyclobutanecarboxamide
Synonym  Source
AA-CS-1-002ChEBI