4-(3-Dimethylamino-phenylamino)-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide (HCID 11490731)

기본 정보

표준 SMILES: Cc1cn(-c2cc(C(=O)Nc3ccc(C)c(NC(=O)n4ccc5c(Nc6cccc(N(C)C)c6)ncnc54)c3)cc(C(F)(F)F)c2)cn1
InChIKey: VMEAGAJMGGCAEK-UHFFFAOYSA-N
분자식: C34H30F3N9O2
평균 분자량: 653.7 g/mol

이름 및 식별자

우선 이름: 4-(3-Dimethylamino-phenylamino)-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide
IUPAC: 4-[3-(dimethylamino)anilino]-N-[2-methyl-5-[[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzoyl]amino]phenyl]pyrrolo[2,3-d]pyrimidine-7-carboxamide

이름 및 동의어

4-(3-dimethylamino-phenylamino)-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid {2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amideSCHEMBL64550404-(3-dimethylamino-phenylamino)-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid{2-methyl-5-[3-(4-methyl-imidazol-1-yl)-5-trifluoromethyl-benzoylamino]-phenyl}-amide

데이터베이스 식별자

PubChem CID: 11490731

물성

구조 계산 물성

XLogP: 6.1
극성 표면적: 122 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 10
회전 가능 결합 수: 7
무거운 원자 수: 48
형식 전하: 0
복잡도: 1,110

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