5-[4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-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 49823346
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기본 정보

표준 SMILES
Cc1cc(C(=O)NCCN2CCOCC2)[nH]c1C=C1C(=O)N(C)c2ncnc(Nc3ccc(F)c(Cl)c3)c21
InChIKey
VZVRWQGDDKSERZ-UHFFFAOYSA-N
분자식
C26H27ClFN7O3
평균 분자량
540 g/mol

이름 및 식별자

우선 이름
5-[4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-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-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-N-(2-morpholin-4-ylethyl)-1H-pyrrole-2-carboxamide

이름 및 동의어

VZVRWQGDDKSERZ-UHFFFAOYSA-N5-[4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-METHYL-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-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-METHYL-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

데이터베이스 식별자

PubChem CID
49823346

물성

구조 계산 물성

XLogP
2.8
극성 표면적
115 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
8
회전 가능 결합 수
7
무거운 원자 수
38

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