5-(4-chloro-6-oxo-6,7-dihydro-pyrrolo[2,3-d]pyrimidin-5-ylidenemethyl)-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)amide

HCID 86586499

基本情報

標準SMILES
Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1C=C1C(=O)Nc2ncnc(Cl)c21
InChIKey
ZGZBTTYRSFJNEM-UHFFFAOYSA-N
分子式
C19H21ClN6O3
平均分子量
416.9 g/mol
単同位体質量
416.1363662

名称と識別子

優先名称
5-(4-chloro-6-oxo-6,7-dihydro-pyrrolo[2,3-d]pyrimidin-5-ylidenemethyl)-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)amide
IUPAC
5-[(4-chloro-6-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-ylidene)methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide

名称と別名

SCHEMBL7674860ZGZBTTYRSFJNEM-UHFFFAOYSA-N5-(4-chloro-6-oxo-6,7-dihydro-pyrrolo [2,3-d]pyrimidin-5-ylidenemethyl)-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide5-(4-chloro-6-oxo-6,7-dihydro-pyrrolo[2,3-d]pyrimidin-5-ylidenemethyl)-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)-amide5-(4-chloro-6-oxo-6,7-dihydro-pyrrolo[2,3-d]pyrimidin-5-ylidenemethyl)-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin-4-yl-ethyl)amide5-(4-chloro-6-oxo-6,7-dihydro-pyrrolo[2,3-d]pyrimidin-5-ylidenemethyl)-4-methyl-1H-pyrrole-2-carboxylic acid (2-morpholin4-yl-ethyl)-amide

データベース識別子

PubChem CID
86586499

物性

構造計算による物性

XLogP
0.9
極性表面積
112 Ų
水素結合供与体数
3
水素結合受容体数
6
回転可能結合数
5
重原子数
29

関連反応

14 件

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