4-(3-Chloro-4-fluoro-phenylamino)-5-[4-methyl-5-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-ylmethylene]-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one

HCID 69794196
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기본 정보

표준 SMILES
Cc1cc(C=C2C(=O)Nc3ncnc(Nc4ccc(F)c(Cl)c4)c32)[nH]c1C(=O)N1CCN(C)CC1
InChIKey
FHYFHSYZOSQOFM-UHFFFAOYSA-N
분자식
C24H23ClFN7O2
평균 분자량
495.9 g/mol
단동위원소 질량
495.1585789

이름 및 식별자

우선 이름
4-(3-Chloro-4-fluoro-phenylamino)-5-[4-methyl-5-(4-methyl-piperazine-1-carbonyl)-1H-pyrrol-2-ylmethylene]-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one
IUPAC
4-(3-chloro-4-fluoroanilino)-5-[[4-methyl-5-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one

이름 및 동의어

SCHEMBL6477672FHYFHSYZOSQOFM-UHFFFAOYSA-N4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-5-[4-METHYL-5-(4-METHYL-PIPERAZINE-1 -CARBONYL)-1H-PYRROL-2-YLMETHYLENE]-5,7-DIHYDRO-PYRROLO [2,3-D]PYRIMIDIN-6-ONE4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-5-[4-METHYL-5-(4-METHYL-PIPERAZINE-1-CARBONYL)-1H-PYRROL-2-YLMETHYLENE]-5,7-DIHYDRO-PYRROLO[2,3-D]PYRIMIDIN-6-ONE

데이터베이스 식별자

PubChem CID
69794196

물성

구조 계산 물성

XLogP
2.9
극성 표면적
106 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
7
회전 가능 결합 수
4
무거운 원자 수
35

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