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CAS 2247614-80-6

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1H-1,2,3-Triazole-4-carboxamide, 1-(1,1-dimethylethyl)-N-[(5R)-2,3,4,5-tetrahydro-8-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]-

Description:
1H-1,2,3-Triazole-4-carboxamide, 1-(1,1-dimethylethyl)-N-[(5R)-2,3,4,5-tetrahydro-8-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]- is a complex organic compound characterized by its triazole and carboxamide functional groups, which contribute to its potential biological activity. The presence of a triazole ring suggests possible applications in medicinal chemistry, particularly in the development of antifungal and antibacterial agents. The compound also features a bulky tert-butyl group, which may influence its solubility and bioavailability. Additionally, the structure includes a tetrahydro-benzazepine moiety, which is often associated with neuroactive properties. The presence of multiple heterocycles, such as pyrazole and pyrimidine, indicates potential interactions with various biological targets, making it a candidate for further pharmacological studies. Overall, this compound's unique structural features may provide insights into its reactivity, stability, and potential therapeutic applications.
Formula:C28H34N10O2
InChI:InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)/t24-/m1/s1
InChI key:JSAQBOQCZJHWMA-XMMPIXPASA-N
SMILES:CC(C)(C)N1C=C(N=N1)C(=O)N[C@@H]2CCN(CC3=C2C=CC(=C3)C4=NC(=NC=C4)NC5=CN(N=C5)C)C6COC6
Synonyms:
  • BIIB091
  • 1H-1,2,3-Triazole-4-carboxamide, 1-(1,1-dimethylethyl)-N-[(5R)-2,3,4,5-tetrahydro-8-[2-[(1-methyl-1H-pyrazol-4-yl)amino]-4-pyrimidinyl]-2-(3-oxetanyl)-1H-2-benzazepin-5-yl]-
Found 3 products.