3-{5-[4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-6-oxo-6,7-dihydro-pyrrolo [2,3-D]pyrimidin-5-ylidenemethyl]-4-methyl-1H-pyrrol-2-YL}-propionic acid

HCID 69815534
노트반응
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1cc(CCC(=O)O)[nH]c1C=C1C(=O)N(C)c2ncnc(Nc3ccc(F)c(Cl)c3)c21
InChIKey
UUAHMHQVIZRZHA-UHFFFAOYSA-N
분자식
C22H19ClFN5O3
평균 분자량
455.9 g/mol

이름 및 식별자

우선 이름
3-{5-[4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-6-oxo-6,7-dihydro-pyrrolo [2,3-D]pyrimidin-5-ylidenemethyl]-4-methyl-1H-pyrrol-2-YL}-propionic acid
IUPAC
3-[5-[[4-(3-chloro-4-fluoroanilino)-7-methyl-6-oxopyrrolo[2,3-d]pyrimidin-5-ylidene]methyl]-4-methyl-1H-pyrrol-2-yl]propanoic acid

이름 및 동의어

SCHEMBL6531874UUAHMHQVIZRZHA-UHFFFAOYSA-N3-{5-[4-(3-CHLORO-4-FLUORO-PHENYLAMINO)-7-METHYL-6-OXO-6,7-DIHYDRO-PYRROLO [2,3-D]PYRIMIDIN-5-YLIDENEMETHYL] -4-METHYL-1H-PYRROL-2-YL}-PROPIONIC ACID3-{5-[4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-6-oxo-6,7-dihydro-pyrrolo[2,3-D]pyrimidin-5-ylidenemethyl]-4-methyl-1H-pyrrol-2-yl}-propionic Acid

데이터베이스 식별자

PubChem CID
69815534

물성

구조 계산 물성

XLogP
3.3
극성 표면적
111 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
7
회전 가능 결합 수
6
무거운 원자 수
32

관련 반응

1건
반응 기록 만들기

화합물 노트

불러오는 중…

3-{5-[4-(3-Chloro-4-fluoro-phenylamino)-7-methyl-6-oxo-6,7-dihydro-pyrrolo [2,3-D]pyrimidin-5-ylidenemethyl]-4-methyl-1H-pyrrol-2-YL}-propionic acid (HCID 69815534)｜Huagongshe