Tert-butyl 3-iodo-5-(1-methyl-1H-pyrazol-4-YL)-1H-pyrrolo[2,3-B]pyridine-1-carboxylate

HCID 58217086
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기본 정보

표준 SMILES
Cn1cc(-c2cnc3c(c2)c(I)cn3C(=O)OC(C)(C)C)cn1
InChIKey
RGSXGWRZOZYFAX-UHFFFAOYSA-N
분자식
C16H17IN4O2
평균 분자량
424.24 g/mol

이름 및 식별자

우선 이름
Tert-butyl 3-iodo-5-(1-methyl-1H-pyrazol-4-YL)-1H-pyrrolo[2,3-B]pyridine-1-carboxylate
IUPAC
tert-butyl 3-iodo-5-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-1-carboxylate

이름 및 동의어

1093676-94-8TERT-BUTYL 3-IODO-5-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATETERT-BUTYL 3-IODO-5-(1-METHYLPYRAZOL-4-YL)PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid, 3-iodo-5-(1-methyl-1H-pyrazol-4-yl)-, 1,1-dimethylethyl ester1H-Pyrrolo[2,3-b]pyridine-1-carboxylic acid,3-iodo-5-(1-methyl-1H-pyrazol-4-yl)-,1,1-dimethylethyl esterSCHEMBL719094RGSXGWRZOZYFAX-UHFFFAOYSA-NTTB67694DA-15680tert-butyl 3-iodo-5-(1-methyl-1H-pyrazol-4-yl)pyrrolo-[2,3-b]pyridine-1-carboxylatetert-butyl 3-iodo-5-(1-methyl-1H-pyrazol-4-yl)pyrrolo[2,3-b]pyridine-1-carboxylateTERT-BUTYL3-IODO-5-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[2,3-B]PYRIDINE-1-CARBOXYLATE

데이터베이스 식별자

PubChem CID
58217086

물성

구조 계산 물성

XLogP
3.1
극성 표면적
61.9 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
3
무거운 원자 수
23

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