4-(3-chloro-4-fluoro-phenylamino)-5-[5-(2-diethylamino-ethyl)-4-oxo-3-trifluoromethyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethylene]-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-one

HCID 66608348

기본 정보

표준 SMILES
CCN(CC)CCN1CCc2[nH]c(C=C3C(=O)Nc4ncnc(Nc5ccc(F)c(Cl)c5)c43)c(C(F)(F)F)c2C1=O
InChIKey
SBPSRGITYCJQRF-UHFFFAOYSA-N
분자식
C27H26ClF4N7O2
평균 분자량
592 g/mol
단동위원소 질량
591.1772634

이름 및 식별자

우선 이름
4-(3-chloro-4-fluoro-phenylamino)-5-[5-(2-diethylamino-ethyl)-4-oxo-3-trifluoromethyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethylene]-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-one
IUPAC
4-(3-chloro-4-fluoroanilino)-5-[[5-[2-(diethylamino)ethyl]-4-oxo-3-(trifluoromethyl)-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl]methylidene]-7H-pyrrolo[2,3-d]pyrimidin-6-one

이름 및 동의어

4-(3-chloro-4-fluoro-phenylamino)-5-[5-(2-diethylamino-ethyl)-4-oxo-3-trifluoromethyl-4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridin-2-ylmethylene]-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-oneSCHEMBL155694

데이터베이스 식별자

PubChem CID
66608348

물성

구조 계산 물성

XLogP
4.1
극성 표면적
106 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
10
회전 가능 결합 수
8
무거운 원자 수
41

관련 반응

4건

화합물 노트

불러오는 중…