HCID46861922

(S)-3,3-dimethyl-2-(5-methyl-3-(2,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamido)butanoic acid

(2S)-3,3-dimethyl-2-[[5-methyl-3-(2,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-1-carbonyl]amino]butanoic acid

C20H23F3N4O3424.4 g/mol

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IDENTITY

结构与身份

标准SMILES: CN1CCc2c(c(-c3cc(F)c(F)cc3F)nn2C(=O)N[C@H](C(=O)O)C(C)(C)C)C1
InChIKey: CISKIYKJZLPCMI-QGZVFWFLSA-N
分子式: C20H23F3N4O3
平均分子量: 424.4 g/mol
单同位素质量: 424.17222509

COMPUTED

结构计算性质

已同步

XLogP: 0.9
极性表面积: 87.5 Å²
氢键供体: 2
氢键受体: 8
可旋转键: 4
重原子: 30
形式电荷: 0
复杂度: 662

ALIASES

名称与别名

共 3 条

SCHEMBL1335646CISKIYKJZLPCMI-QGZVFWFLSA-N(S)-3,3-dimethyl-2-(5-methyl-3-(2,4,5-trifluorophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-1-carboxamido)butanoic acid

REACTIONS