4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-5-[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl-methylene]-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one
기본 정보
- 표준 SMILES
Cc1cc(C(=O)N2CCOCC2)[nH]c1C=C1C(=O)N(C)c2ncnc(Nc3ccc(F)c(Cl)c3)c21- InChIKey
LRSHIAVFAJLOLR-UHFFFAOYSA-N- 분자식
- C24H22ClFN6O3
- 평균 분자량
- 496.9 g/mol
이름 및 식별자
- 우선 이름
- 4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-5-[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl-methylene]-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one
- IUPAC
- 4-(3-chloro-4-fluoroanilino)-7-methyl-5-[[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl]methylidene]pyrrolo[2,3-d]pyrimidin-6-one
이름 및 동의어
SCHEMBL6477781LRSHIAVFAJLOLR-UHFFFAOYSA-N4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-5-[3-methyl-5-(morpholine-4-carbonyl)-1H-pyrrol-2-yl-methylene]-5,7-dihydro-pyrrolo[2,3-D]pyrimidin-6-one4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-METHYL-5-[3-METHYL-5-(MORPHOLINE-4-CARBONYL)-1H-PYRROL-2-YLMETHYLENE]-5,7-DIHYDRO-PYRROLO[2,3-D]PYRIMIDIN-6-ONE4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-METHYL-5-[3-METHYL-5-(MORPHOLINE-4-CARBONYL)-1H-PYRROL-2-YLMETHYLENE]-5.7-DIHYDRO-PYRROLO [2,3-D]PYRIMIDIN-6-ONE
데이터베이스 식별자
- PubChem CID
- 69794254
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 103 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 842
관련 반응
3건
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