2-(4-(4-(3-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)piperazin-1-yl) acetamide (HCID 118523962)

기본 정보

표준 SMILES: Cc1ccc(S(=O)(=O)n2cc(-c3cnn(Cc4cccc(F)c4)c3)c3cc(-c4ccc(N5CCN(CC(N)=O)CC5)cc4)cnc32)cc1
InChIKey: GQEUPYSPGIFQCG-UHFFFAOYSA-N
분자식: C36H34FN7O3S
평균 분자량: 663.8 g/mol
단동위원소 질량: 663.24278731

이름 및 식별자

우선 이름: 2-(4-(4-(3-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)piperazin-1-yl) acetamide
IUPAC: 2-[4-[4-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazin-1-yl]acetamide

이름 및 동의어

SCHEMBL17273361GQEUPYSPGIFQCG-UHFFFAOYSA-N2-(4-(4-(3-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)piperazin-1-yl) acetamide2-(4-(4-(3-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)piperazin-1-yl)acetamide

데이터베이스 식별자

PubChem CID: 118523962

물성

구조 계산 물성

XLogP: 5
극성 표면적: 128 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 8
회전 가능 결합 수: 9
무거운 원자 수: 48
형식 전하: 0
복잡도: 1,180

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