11-Ethyl-2-(3-hydroxypyrrolidin-1-yl)-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one

HCID 463549

基本信息

标准SMILES
CCN1c2ncccc2C(=O)Nc2c(C)cc(N3CCC(O)C3)nc21
InChIKey
YFMXPUKJKBLXBS-UHFFFAOYSA-N
分子式
C18H21N5O2
平均分子量
339.4 g/mol

名称与标识

首选名称
11-Ethyl-2-(3-hydroxypyrrolidin-1-yl)-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one
IUPAC
2-ethyl-5-(3-hydroxypyrrolidin-1-yl)-7-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one

名称与别名

CHEMBL144851SCHEMBL8889162YFMXPUKJKBLXBS-UHFFFAOYSA-N11-ethyl-2-(3-hydroxypyrrolidin-1-yl)-4-methyl-5H-dipyrido[[?],[?]][1,4]diazepin-6-one11-Ethyl-2-(3-hydroxypyrrolidin-1-yl)-4-methyl-5,11-dihydro-6H-dipyrido[2,3-e:3',2'-b][1,4]diazepin-6-one5,11-dihydro-11-ethyl-2-(3- hydroxypyrrolidin-1-yl)-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one5,11-Dihydro-11-ethyl-2-(3-hydroxypyrrolidin-1-yl)-4-methyl-6H-dipyrido[3,2-b:2',3'-e][1,4]diazepin-6-one

数据库标识

PubChem CID
463549
ChEMBL
CHEMBL144851

性质

结构计算性质

XLogP
1.7
极性表面积
81.6 Ų
氢键供体
2
氢键受体
6
可旋转键
2
重原子
25

相关反应

4 条

关联笔记

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