Diethyl [(6-{[4-{[7-(trans-4-hydroxycyclohexyl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}pyridin-3-yl)methyl]phosphonate

HCID 58293073
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기본 정보

표준 SMILES
CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(C4CCC(O)CC4)c4c3C(=O)N(C)C4)n2)nc1)OCC
InChIKey
CDFPMNUGAFIZLM-UHFFFAOYSA-N
분자식
C30H36F3N6O5P
평균 분자량
648.6 g/mol

이름 및 식별자

우선 이름
Diethyl [(6-{[4-{[7-(trans-4-hydroxycyclohexyl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}pyridin-3-yl)methyl]phosphonate
IUPAC
7-[[2-[[5-(diethoxyphosphorylmethyl)-2-pyridinyl]amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]-4-(4-hydroxycyclohexyl)-2-methyl-3H-isoindol-1-one

이름 및 동의어

Diethyl [(6-{[4-{[7-(trans-4-hydroxycyclohexyl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}pyridin-3-yl)methyl]phosphonateSCHEMBL2030052CDFPMNUGAFIZLM-UHFFFAOYSA-NDiethyl[(6-{[4-{[7-(trans-4-hydroxycyclohexyl)-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}pyridin-3-yl)methyl]phosphonate

데이터베이스 식별자

PubChem CID
58293073

물성

구조 계산 물성

XLogP
4.1
극성 표면적
139 Ų
수소 결합 공여자 수
3
수소 결합 수용자 수
13
회전 가능 결합 수
11
무거운 원자 수
45

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