PI3kδ억제제1
2-(1-{[2-(5-Fluoro-1h-Indol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
기본 정보
- CAS
1332075-63-4- 표준 SMILES
CC(C)(O)C1CCN(Cc2ccc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3n2)CC1- InChIKey
ONEJEIKQLAZPNN-UHFFFAOYSA-N- 분자식
- C28H33FN6O2
- 평균 분자량
- 504.6 g/mol
- 단동위원소 질량
- 504.26490248
이름 및 식별자
- 우선 이름
- 2-(1-{[2-(5-Fluoro-1h-Indol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol
- IUPAC
- 2-[1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol
- 현지명
- PI3kδ억제제1
- 영어명
- PI3kδ inhibitor 1
- 분자식
- C28H33FN6O2
- 분자량
- 504.5990232
이름 및 동의어
1332075-63-4PI3k(delta) inhibitor 12-(1-{[2-(5-Fluoro-1h-Indol-4-Yl)-4-(Morpholin-4-Yl)pyrido[3,2-D]pyrimidin-6-Yl]methyl}piperidin-4-Yl)propan-2-Ol2-[1-[[2-(5-Fluoro-1H-indol-4-yl)-4-(morpholin-4-yl)pyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol2-[1-[[2-(5-fluoro-1H-indol-4-yl)-4-morpholin-4-ylpyrido[3,2-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-olCHEMBL2152768ONEJEIKQLAZPNN-UHFFFAOYSA-NPI3K inhibitor 1orb1708861SCHEMBL2277579DTXSID00693658BDBM50392138
이름 더 보기
PI3kδ억제제1PI3kδ inhibitor 1PI3k-delta inhibitor 1PI3kδ inhibitor 1,PI-3kδ inhibitor 12-d]pyrimidin-6-yl]methyl]piperidin-4-yl]propan-2-ol2-[1-[[2-(5-Fluoro-1H-indol-4-yl)-4-(morpholin-4-yl)pyrido[34-PiperidineMethanol, 1-[[2-(5-fluoro-1H-indol-4-yl)-4-(4-Morpholinyl)pyrido[3,2-d]pyriMidin-6-yl]Methyl]-α,α-diMethyl-2-[1-[[2-(5-FLUORO-1H-INDOL-4-YL)-4-(MORPHOLIN-4-YL)PYRIDO[32-D]PYRIMIDIN-6-YL]METHYL]PIPERIDIN-4-YL]PROPAN-2-OL2-[1-[[2-(5-FLUORO-1H-INDOL-4-YL)-4-(MORPHOLIN-4-YL)PYRIDO[32-D]PYRIMIDIN-6-YL]METHYL]PIPERIDIN-4-YL]PROPAN-2-OL
AKOS030526412CS-06750SCHY-15288T12463Q274513742-(1-((2-(5-fluoro-1H-indol-4-yl)-4-morpholinopyrido[3,2-d]pyrimidin-6-yl)methyl)piperidin-4-yl)propan-2-ol
데이터베이스 식별자
- CAS
1332075-63-4- PubChem CID
- 53378051
- DTXSID
DTXSID00693658- ChEMBL
CHEMBL2152768
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 90.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 761
물리화학적 성질
- 끓는 점
- 636.6 · 636.6±55.0 °C(Predicted)
- 밀도
- 1.32 · 1.32
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 에 용해됨DMSO
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 14.58 · 14.58±0.30(Predicted)
관련 반응
2건
화합물 노트
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