2-{4-[(3S)-1-(tert-butoxycarbonyl)piperidin-3-yl]phenyl}-2H-indazole-7-carboxylic acid
기본 정보
- CAS
1038916-08-3- 표준 SMILES
CC(C)(C)OC(=O)N1CCC[C@@H](c2ccc(-n3cc4cccc(C(=O)O)c4n3)cc2)C1- InChIKey
QJLUKQXULLVBRS-QGZVFWFLSA-N- 분자식
- C24H27N3O4
- 평균 분자량
- 421.5 g/mol
- 단동위원소 질량
- 421.20015635
이름 및 식별자
- 우선 이름
- 2-{4-[(3S)-1-(tert-butoxycarbonyl)piperidin-3-yl]phenyl}-2H-indazole-7-carboxylic acid
- IUPAC
- 2-[4-[(3S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]phenyl]indazole-7-carboxylic acid
- 영어명
- (S)-2-(4-(1-(tert-butoxycarbonyl)piperidin-3-yl)phenyl)-2H-indazole-7-carboxylicacid
- 분자식
- C24H27N3O4
- 분자량
- 421.49
이름 및 동의어
1038916-08-3(S)-2-(4-(1-(tert-Butoxycarbonyl)piperidin-3-yl)phenyl)-2H-indazole-7-carboxylic acid2-{4-[(3S)-1-(tert-butoxycarbonyl)piperidin-3-yl]phenyl}-2H-indazole-7-carboxylic acid2-[4-[(3S)-1-(tert-Butoxycarbonyl)piperidin-3-yl]phenyl]-2H-indazole-7-carboxylic acidNiraparib Impurity N19XUR4QJR6A2SCHEMBL1421860QJLUKQXULLVBRS-QGZVFWFLSA-NDB-364511(S)-2-(4-(1-(tert-Butoxycarbonyl)piperidin-3-yl)phenyl)-2H-indazole-7-carboxylicacid2-[4-[(3S)-1-[(1,1-Dimethylethoxy)carbonyl]-3-piperidinyl]phenyl]-2H-indazole-7-carboxylic acid2H-Indazole-7-carboxylic acid, 2-[4-[(3S)-1-[(1,1-dimethylethoxy)carbonyl]-3-piperidinyl]phenyl]-
이름 더 보기
EOS-60866Niraparib INTNiraparib Impurity 32Niraparib Impurity 16(S)-2-(4-(tert-butoxycarbonyl)piperidin-3-yl)phenyl)-2H-indazole-7-carboxylicacid(S)-2(4-(1(TERT BUTOXYCARBONYL) PIPERIDIN-3-YL) PHENYL)-2H-INDAZOLE-7-CA RBOXYLATE
데이터베이스 식별자
- CAS
1038916-08-3- PubChem CID
- 57501623
- UNII
- XUR4QJR6A2
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 84.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 656
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