6-Cyclopropyl-3-methyl-N-(1-((2-methylphenyl)methyl)-1H-pyrazol-4-yl)-1-phenyl-1H-pyrazolo(3,4-b)pyridine-4-carboxamide
基本情報
- CAS
1006329-03-8- 標準SMILES
Cc1ccccc1Cn1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cn1- InChIKey
OSZBNDFQVCWPHR-UHFFFAOYSA-N- 分子式
- C28H26N6O
- 平均分子量
- 462.5 g/mol
- 単同位体質量
- 462.21680947
名称と識別子
- 優先名称
- 6-Cyclopropyl-3-methyl-N-(1-((2-methylphenyl)methyl)-1H-pyrazol-4-yl)-1-phenyl-1H-pyrazolo(3,4-b)pyridine-4-carboxamide
- IUPAC
- 6-cyclopropyl-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
名称と別名
1006329-03-86-Cyclopropyl-3-methyl-N-[1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide6-Cyclopropyl-3-methyl-N-(1-((2-methylphenyl)methyl)-1H-pyrazol-4-yl)-1-phenyl-1H-pyrazolo(3,4-b)pyridine-4-carboxamide6-cyclopropyl-3-methyl-N-{1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamideRefChem:308176ZINC139614076-cyclopropyl-3-methyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]-1-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxamide6-cyclopropyl-3-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1-phenylpyrazolo[3,4-b]pyridine-4-carboxamideDTXSID101105454MFCD08554413STK315136AKOS003999084
名称をさらに表示
ZINC0000139614076cyclopropyl3methylN(1(2methylbenzyl)1Hpyrazol4yl)1phenyl1Hpyrazolo(34b)pyridine4carboxamideCC1=CC=CC=C1CN2C=C(C=N2)NC(=O)C3=CC(=NC4=C3C(=NN4C5=CC=CC=C5)C)C6CC66cyclopropyl3methylN(1((2methylphenyl)methyl)pyrazol4yl)1phenylpyrazolo(34b)pyridine4carboxamide
物性
構造計算による物性
- XLogP
- 4.6
- 極性表面積
- 77.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 6
- 重原子数
- 35
- 形式電荷
- 0
- 複雑度
- 739
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