CHEBI:47188 - N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propylimidazol-5-yl]pyrimidin-2-amine

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ChEBI Name N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propylimidazol-5-yl]pyrimidin-2-amine
ChEBI ID CHEBI:47188
ChEBI ASCII Name N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propylimidazol-5-yl]pyrimidin-2-amine
Definition A member of the class of piperidinylimidazoles that is 1-methyl-4-(1-propylimidazol-2-yl)piperidine carrying additional 3,4-dichlorophenyl and 2-(cyclopropylamino)pyrimidin-4-yl substituents at positions 4 and 5 respectively.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C25H30Cl2N6
Net Charge 0
Average Mass 485.453
Monoisotopic Mass 484.19090
InChI InChI=1S/C25H30Cl2N6/c1-3-12-33-23(21-8-11-28-25(30-21)29-18-5-6-18)22(17-4-7-19(26)20(27)15-17)31-24(33)16-9-13-32(2)14-10-16/h4,7-8,11,15-16,18H,3,5-6,9-10,12-14H2,1-2H3,(H,28,29,30)
InChIKey XCTKFTOEAKJMII-UHFFFAOYSA-N
SMILES N1=C(N=C(C=C1)C=2N(C(=NC2C3=CC=C(C(=C3)Cl)Cl)C4CCN(CC4)C)CCC)NC5CC5
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Biological Role(s): c-Jun N-terminal kinase inhibitor
An EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor that inhibits the action of c-Jun N-terminal kinase.
(via N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propylimidazol-5-yl]pyrimidin-2-amine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propylimidazol-5-yl]pyrimidin-2-amine (CHEBI:47188) has role c-Jun N-terminal kinase inhibitor (CHEBI:90172)
N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propylimidazol-5-yl]pyrimidin-2-amine (CHEBI:47188) is a aminopyrimidine (CHEBI:38338)
N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propylimidazol-5-yl]pyrimidin-2-amine (CHEBI:47188) is a cyclopropanes (CHEBI:51454)
N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propylimidazol-5-yl]pyrimidin-2-amine (CHEBI:47188) is a dichlorobenzene (CHEBI:23697)
N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propylimidazol-5-yl]pyrimidin-2-amine (CHEBI:47188) is a piperidinylimidazole (CHEBI:48587)
N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propylimidazol-5-yl]pyrimidin-2-amine (CHEBI:47188) is a tertiary amino compound (CHEBI:50996)
IUPAC Name
N-cyclopropyl-4-[4-(3,4-dichlorophenyl)-2-(1-methylpiperidin-4-yl)-1-propyl-1H-imidazol-5-yl]pyrimidin-2-amine
Manual Xrefs Databases
984 PDBeChem
DB03084 DrugBank
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Registry Number Type Source
15016356 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
12954329 PubMed citation Europe PMC
Last Modified
14 July 2016