2-(6-fluoro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide (HCID 71288163)

기본 정보

표준 SMILES: C[C@H](NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)C(C)(C)C
InChIKey: CUMCLYLFRYNTSP-NSHDSACASA-N
분자식: C21H23FN6O
평균 분자량: 394.4 g/mol

이름 및 식별자

우선 이름: 2-(6-fluoro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide
IUPAC: N-[(2S)-3,3-dimethylbutan-2-yl]-2-(6-fluoro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

이름 및 동의어

SCHEMBL14751031CUMCLYLFRYNTSP-NSHDSACASA-N2-(6-fluoro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethyl-propyl)-amide2-(6-fluoro-1-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid ((S)-1,2,2-trimethylpropyl)-amide

데이터베이스 식별자

PubChem CID: 71288163

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 88.5 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 4
무거운 원자 수: 29
형식 전하: 0
복잡도: 612

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