(R)-2-(2-((4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)pyrrolidine-1-carbonyl)-3-(1-aminocyclopropyl)acrylonitrile

HCID 86714549

기본 정보

표준 SMILES
N#CC(=CC1(N)CC1)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21
InChIKey
FWSRAJSFIOPBOE-LJQANCHMSA-N
분자식
C29H27FN8O2
평균 분자량
538.6 g/mol

이름 및 식별자

우선 이름
(R)-2-(2-((4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)pyrrolidine-1-carbonyl)-3-(1-aminocyclopropyl)acrylonitrile
IUPAC
3-(1-aminocyclopropyl)-2-[(2R)-2-[[4-amino-3-(2-fluoro-4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]pyrrolidine-1-carbonyl]prop-2-enenitrile

이름 및 동의어

CHEMBL5828899SCHEMBL15517670SCHEMBL15577006SCHEMBL30139545FWSRAJSFIOPBOE-LJQANCHMSA-N(R)-2-(2-((4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]-pyrimidin-1-yl)methyl)pyrrolidine-1-carbonyl)-3-(1-aminocyclopropyl)acrylonitrile(R)-2-(2-((4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)methyl)pyrrolidine-1-carbonyl)-3-(1-aminocyclopropyl)acrylonitrile

데이터베이스 식별자

PubChem CID
86714549
ChEMBL
CHEMBL5828899

물성

구조 계산 물성

XLogP
2.7
극성 표면적
149 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
9
회전 가능 결합 수
7
무거운 원자 수
40

관련 반응

7건

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