2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
기본 정보
- 표준 SMILES
CCOc1cc(F)c(Cn2nc(-c3ncc(OC)c(Nc4ccncc4)n3)c3c2CCC3)c(F)c1- InChIKey
UJORPFQWUKFXIE-UHFFFAOYSA-N- 분자식
- C25H24F2N6O2
- 평균 분자량
- 478.5 g/mol
이름 및 식별자
- 우선 이름
- 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
- IUPAC
- 2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
이름 및 동의어
CHEMBL3260324compound 2-1-1 [PMID: 24900824]GTPL8109SCHEMBL15536618UJORPFQWUKFXIE-UHFFFAOYSA-NBDBM50011209PMID24900824C2-1-1Q270764162-[1-(4-ethoxy-2,6-difluorobenzyl)-1,4,5,6-tetrahydrocyclopenta-[c]pyrazol-3-yl]-5-methoxy-N-(pyridin-4-yl)pyrimidin-4-amine2-[1-(4-ethoxy-2,6-difluorobenzyl)-1,4,5,6-tetrahydrocyclopenta[c]-pyrazol-3-yl]-5-methoxy-N-(pyridin-4-yl)pyrimidin-4-amine2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
데이터베이스 식별자
- PubChem CID
- 72202254
- ChEMBL
CHEMBL3260324
물성
구조 계산 물성
- XLogP
- 3.8
- 극성 표면적
- 87 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 35
- 형식 전하
- 0
- 복잡도
- 662
관련 반응
2건
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