CAS 1076199-23-9

1,1-Dimethylethyl 4-[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]-1-piperazinecarboxylate

Description:

1,1-Dimethylethyl 4-[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]-1-piperazinecarboxylate, identified by CAS number 1076199-23-9, is a complex organic compound characterized by its intricate molecular structure, which includes multiple aromatic rings, a piperazine moiety, and various functional groups such as amines and carbonyls. This compound is likely to exhibit significant biological activity due to its structural features, which may facilitate interactions with biological targets. Its solubility, stability, and reactivity can be influenced by the presence of the dimethyl group and the piperazine ring, which may enhance its pharmacokinetic properties. The presence of heterocycles, such as pyridine and pyrimidine, suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals. As with many complex organic compounds, careful consideration of its synthesis, purification, and characterization is essential for understanding its properties and potential uses in various fields, including drug development and chemical research.

Formula: C₃₃H₃₇N₇O₃

InChI: InChI=1S/C33H37N7O3/c1-23-7-12-27(20-29(23)38-31-35-15-13-28(37-31)26-6-5-14-34-21-26)36-30(41)25-10-8-24(9-11-25)22-39-16-18-40(19-17-39)32(42)43-33(2,3)4/h5-15,20-21H,16-19,22H2,1-4H3,(H,36,41)(H,35,37,38)

InChI key: InChIKey=PNYCXPQYRFQURW-UHFFFAOYSA-N

SMILES: N(C=1N=C(C=CN1)C=2C=CC=NC2)C3=CC(NC(=O)C4=CC=C(CN5CCN(C(OC(C)(C)C)=O)CC5)C=C4)=CC=C3C

Synonyms:

• 1-Piperazinecarboxylic acid, 4-[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 4-[[4-[[[4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]phenyl]amino]carbonyl]phenyl]methyl]-1-piperazinecarboxylate