tert-butyl (3R,4S,5S)-1-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-5-methyl-4-(4-methyl-1H-1,2,3-triazol-1-yl)piperidin-3-ylcarbamate

HCID 86705274
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
Cc1cn([C@H]2[C@@H](C)CN(c3ccncc3NC(=O)c3ccc(F)c(-c4c(F)cccc4F)n3)C[C@H]2NC(=O)OC(C)(C)C)nn1
InChIKey
BNSHOOPDEMUOMH-JGSUCVCASA-N
분자식
C31H33F3N8O3
평균 분자량
622.6 g/mol

이름 및 식별자

우선 이름
tert-butyl (3R,4S,5S)-1-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-5-methyl-4-(4-methyl-1H-1,2,3-triazol-1-yl)piperidin-3-ylcarbamate
IUPAC
tert-butyl N-[(3R,4S,5S)-1-[3-[[6-(2,6-difluorophenyl)-5-fluoropyridine-2-carbonyl]amino]-4-pyridinyl]-5-methyl-4-(4-methyltriazol-1-yl)piperidin-3-yl]carbamate

이름 및 동의어

SCHEMBL15588823BNSHOOPDEMUOMH-JGSUCVCASA-Ntert-butyl (3R,4S,5S)-1-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-5-methyl-4-(4-methyl-1H-1,2,3-triazol-1-yl)piperidin-3-ylcarbamate

데이터베이스 식별자

PubChem CID
86705274

물성

구조 계산 물성

XLogP
4.2
극성 표면적
127 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
11
회전 가능 결합 수
8
무거운 원자 수
45

관련 반응

2건
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연결된 노트

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tert-butyl (3R,4S,5S)-1-(3-(6-(2,6-difluorophenyl)-5-fluoropicolinamido)pyridin-4-yl)-5-methyl-4-(4-methyl-1H-1,2,3-triazol-1-yl)piperidin-3-ylcarbamate (HCID 86705274)｜Huagongshe