4-{4-[4-(3-Difluoromethyl-4-fluorophenyl)-1-(((R)-1-methylpiperidin-2-yl)methyl)-1H-imidazol-2-yl]-piperidin-1-yl}-5-ethyl-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-one

HCID 67264936
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기본 정보

표준 SMILES
CCC1C(=O)Nc2ncnc(N3CCC(c4nc(-c5ccc(F)c(C(F)F)c5)cn4C[C@H]4CCCCN4C)CC3)c21
InChIKey
YAKDLOKTVMXZQG-VQCQRNETSA-N
분자식
C30H36F3N7O
평균 분자량
567.6 g/mol

이름 및 식별자

우선 이름
4-{4-[4-(3-Difluoromethyl-4-fluorophenyl)-1-(((R)-1-methylpiperidin-2-yl)methyl)-1H-imidazol-2-yl]-piperidin-1-yl}-5-ethyl-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-one
IUPAC
4-[4-[4-[3-(difluoromethyl)-4-fluorophenyl]-1-[[(2R)-1-methylpiperidin-2-yl]methyl]imidazol-2-yl]piperidin-1-yl]-5-ethyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

이름 및 동의어

4-{4-[4-(3-Difluoromethyl-4-fluorophenyl)-1-(((R)-1-methylpiperidin-2-yl)methyl)-1H-imidazol-2-yl]-piperidin-1-yl}-5-ethyl-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-oneSCHEMBL2063298

데이터베이스 식별자

PubChem CID
67264936

물성

구조 계산 물성

XLogP
4.4
극성 표면적
79.2 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
9
회전 가능 결합 수
7
무거운 원자 수
41

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4-{4-[4-(3-Difluoromethyl-4-fluorophenyl)-1-(((R)-1-methylpiperidin-2-yl)methyl)-1H-imidazol-2-yl]-piperidin-1-yl}-5-ethyl-5,7-dihydro-pyrrolo[2,3-d]pyrimidin-6-one (HCID 67264936)｜Huagongshe