(6-{4-[6-(4-Fluoro-phenyl)-2-(2-(R)-methyl-pyrrolidin-1-yl)-pyrimidin-4-yl]-3-(R)-methyl-piperazin-1-yl)-5-methyl-pyridin-3-yl)-acetic acid tert-butyl ester (HCID 59168306)

기본 정보

표준 SMILES: Cc1cc(CC(=O)OC(C)(C)C)cnc1N1CCN(c2cc(-c3ccc(F)cc3)nc(N3CCC[C@H]3C)n2)[C@H](C)C1
InChIKey: PKHIXXRAEZXLKC-DHIUTWEWSA-N
분자식: C32H41FN6O2
평균 분자량: 560.7 g/mol
단동위원소 질량: 560.32750273

이름 및 식별자

우선 이름: (6-{4-[6-(4-Fluoro-phenyl)-2-(2-(R)-methyl-pyrrolidin-1-yl)-pyrimidin-4-yl]-3-(R)-methyl-piperazin-1-yl)-5-methyl-pyridin-3-yl)-acetic acid tert-butyl ester
IUPAC: tert-butyl 2-[6-[(3R)-4-[6-(4-fluorophenyl)-2-[(2R)-2-methylpyrrolidin-1-yl]pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methyl-3-pyridinyl]acetate

이름 및 동의어

(6-{4-[6-(4-Fluoro-phenyl)-2-(2-(R)-methyl-pyrrolidin-1-yl)-pyrimidin-4-yl]-3-(R)-methyl-piperazin-1-yl)-5-methyl-pyridin-3-yl)-acetic acid tert-butyl ester(6-{4-[6-(4-fluoro-phenyl)-2-(2-(R)-methyl-pyrrolidin-1-yl)-pyrimidin-4-yl]-3-(R)-methyl-piperazin-1-yl}-5-methyl-pyridin-3-yl)-acetic acid tert-butyl esterSCHEMBL907418PKHIXXRAEZXLKC-DHIUTWEWSA-N

데이터베이스 식별자

PubChem CID: 59168306

물성

구조 계산 물성

XLogP: 6.2
극성 표면적: 74.7 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 9
회전 가능 결합 수: 8
무거운 원자 수: 41
형식 전하: 0
복잡도: 864

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