3-(1,1-dimethylethyl)-6-fluoro-1-methyl-9-(methyloxy)-5-{3-methyl-4-[(phenylmethyl)oxy]phenyl}-8-{[(1-methylpiperidin-4-yl)methyl]oxy}-3H-pyrazolo[3,4-c]isoquinoline
기본 정보
- 표준 SMILES
COc1c(OCC2CCN(C)CC2)cc(F)c2c(-c3ccc(OCc4ccccc4)c(C)c3)nc3c(c(C)nn3C(C)(C)C)c12- InChIKey
NUDDWJUQIZVYRW-UHFFFAOYSA-N- 분자식
- C37H43FN4O3
- 평균 분자량
- 610.8 g/mol
- 단동위원소 질량
- 610.33191941
이름 및 식별자
- 우선 이름
- 3-(1,1-dimethylethyl)-6-fluoro-1-methyl-9-(methyloxy)-5-{3-methyl-4-[(phenylmethyl)oxy]phenyl}-8-{[(1-methylpiperidin-4-yl)methyl]oxy}-3H-pyrazolo[3,4-c]isoquinoline
- IUPAC
- 3-tert-butyl-6-fluoro-9-methoxy-1-methyl-5-(3-methyl-4-phenylmethoxyphenyl)-8-[(1-methylpiperidin-4-yl)methoxy]pyrazolo[5,4-c]isoquinoline
이름 및 동의어
SCHEMBL1056268NUDDWJUQIZVYRW-UHFFFAOYSA-N3-(1,1-dimethylethyl)-6-fluoro-1-methyl-9-(methyloxy)-5-{3-methyl-4-[(phenylmethyl)oxy]phenyl}-8-{[(1-methylpiperidin-4-yl)methyl]oxy}-3H-pyrazolo[3,4-c]isoquinoline
데이터베이스 식별자
- PubChem CID
- 66890798
물성
구조 계산 물성
- XLogP
- 7.7
- 극성 표면적
- 61.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 937
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