1420478-89-2 (((S)-benzyl 2-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate)

CAS号:
1420478-89-2
英文名称:
(S)-benzyl 2-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate
分子式:
C30H27N7O3
分子量:
533.580485582352

(S)-benzyl 2-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate(1420478-89-2)名称与标识符

名称

英文别名:
(S)-2-{8-Amino-1-[4-(pyridin-2-ylcarbamoyl)-phenyl]-imidazo[1,5-a] pyrazin-3-yl}-pyrrolidine-1-carboxylic acid benzyl ester;(S)-benzyl 2-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;1-Pyrrolidinecarboxylic acid, 2-[8-amino-1-[4-[(2-pyridinylamino)carbonyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-, phenylmethyl ester, (2S)-;benzyl (2S)-2-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;benzyl(S)-2-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate;

标识符

InChIKey:
PBYIGYPMLIQOEW-QHCPKHFHSA-N
Inchi:
1S/C30H27N7O3/c31-27-26-25(21-11-13-22(14-12-21)29(38)34-24-10-4-5-15-32-24)35-28(37(26)18-16-33-27)23-9-6-17-36(23)30(39)40-19-20-7-2-1-3-8-20/h1-5,7-8,10-16,18,23H,6,9,17,19H2,(H2,31,33)(H,32,34,38)/t23-/m0/s1
SMILES:
O(CC1C=CC=CC=1)C(N1CCC[C@H]1C1=NC(C2C=CC(C(NC3C=CC=CN=3)=O)=CC=2)=C2C(N)=NC=CN12)=O

(S)-benzyl 2-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate(1420478-89-2)物化性质

计算特性

  • 氢键供体数量 : 2
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 7
  • 重原子数量 : 40
  • 复杂度 : 862
  • 疏水参数计算参考值(XlogP) : 3.9
  • 拓扑分子极性表面积 : 128

(S)-benzyl 2-(8-amino-1-(4-(pyridin-2-ylcarbamoyl)phenyl)imidazo[1,5-a]pyrazin-3-yl)pyrrolidine-1-carboxylate(1420478-89-2)推荐厂家 更多厂家(4)

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