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기본 정보
- 표준 SMILES
C=C(OCC)c1c(C)c2cnc(Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cn3)nc2n(C2CCCC2)c1=O- InChIKey
ZSUHBFDUYDVOFZ-UHFFFAOYSA-N- 분자식
- C31H41N7O4
- 평균 분자량
- 575.7 g/mol
- 단동위원소 질량
- 575.32200281
이름 및 식별자
- 우선 이름
- 4-{6-[8-Cyclopentyl-6-(1-ethoxy-vinyl)-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl}-piperazine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-[6-[[8-cyclopentyl-6-(1-ethoxyethenyl)-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]-3-pyridinyl]piperazine-1-carboxylate
이름 및 동의어
571189-10-14-{6-[8-cyclopentyl-6-(1-ethoxy-vinyl)-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl}-piperazine-1-carboxylic acid tert-butyl estertert-butyl 4-(6-{[8-cyclopentyl-6-(1-ethoxyethenyl)-5-methyl-7-oxo-7H,8H-pyrido[2,3-d]pyrimidin-2-yl]amino}pyridin-3-yl)piperazine-1-carboxylate4-[6-[8-cyclopentyl-6-(1-ethoxy-vinyl)-5-methyl-7-oxo-7,8-dihydro-pyrido[2,3-d]pyrimidin-2-ylamino]-pyridin-3-yl]-piperazine-1-carboxylic acid tert-butyl esterSCHEMBL2077623ZSUHBFDUYDVOFZ-UHFFFAOYSA-Ntert-butyl 4-(6-(8-cyclopentyl-6-(1-ethoxyvinyl)-7,8-dihydro-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-ylamino)pyridin-3-yl)piperazine-1-carboxylateDB-266928H63915tert-butyl 4-(6-((8-cyclopentyl-6-(1-ethoxyvinyl)-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylatetert-butyl4-(6-((8-cyclopentyl-6-(1-ethoxyvinyl)-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazine-1-carboxylate
데이터베이스 식별자
- PubChem CID
- 11273170
물성
구조 계산 물성보충 중
- XLogP
- 4.2
- 극성 표면적
- 113 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 1,030
관련 반응
17건
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