4-Methyl-5-[4-(4-methyl-piperazin-1-YL)-6-oxo-6,7-dihydro-pyrrolo [2,3-D]pyrimidin-5-ylidenemethyl]-1H-pyrrole-2-carboxylic acid (2-morpholin-4-YL-ethyl)-amide

HCID 85326645
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基本情報

標準SMILES
Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1C=C1C(=O)Nc2ncnc(N3CCN(C)CC3)c21
InChIKey
SFKYAVHDXQHICU-UHFFFAOYSA-N
分子式
C24H32N8O3
平均分子量
480.6 g/mol

名称と識別子

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

名称と別名

SFKYAVHDXQHICU-UHFFFAOYSA-N4-METHYL-5-[4-(4-METHYL-PIPERAZIN-1-YL)-6-OXO-6,7-DIHYDRO-PYRROLO [2,3-D]PYRIMIDIN-5-YLIDENEMETHYL]-1 H-PYRROLE-2-CARBOXYLIC ACID (2-MORPHOLIN-4-YL-ETHYL)-AMIDE4-METHYL-5-[4-(4-METHYL-PIPERAZIN-1-YL)-6-OXO-6,7-DIHYDRO-PYRROLO [2,3-D]PYRIMIDIN-5-YLIDENEMETHYL]-1H-PYRROLE-2-CARBOXYLIC ACID (2-MORPHOLIN-4-YL-ETHYL)-AMIDE4-Methyl-5-[4-(4-methyl-piperazin-1-yl)-6-oxo-6,7-dihydro-pyrrolo[2,3-D]pyrimidin-5-ylidenemethyl]-1H-pyrrole-2-carboxylic Acid (2-Morpholin-4-yl-ehtyl)-amide4-METHYL-5-[4-(4-METHYL-PIPERAZIN-1-YL)-6-OXO-6,7-DIHYDRO-PYRROLO[2,3-D]PYRIMIDIN-5-YLIDENEMETHYL]-1H-PYRROLE-2-CARBOXYLIC ACID (2-MORPHOLIN-4-YL-ETHYL)-AMIDE

データベース識別子

PubChem CID
85326645

物性

構造計算による物性

XLogP
0.2
極性表面積
119 Ų
水素結合供与体数
3
水素結合受容体数
8
回転可能結合数
6
重原子数
35

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