3 Cyclopentyl-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2.3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile

HCID 57477597

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 941685-39-8
표준 SMILES: C[Si](C)(C)CCOCn1ccc2c(-c3cnn(C(CC#N)C4CCCC4)c3)ncnc21
InChIKey: QHQSWYIJDFMBNE-UHFFFAOYSA-N
분자식: C23H32N6OSi
평균 분자량: 436.6 g/mol

이름 및 식별자

우선 이름: 3 Cyclopentyl-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2.3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile
IUPAC: 3-cyclopentyl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrile
영어명: 1H-Pyrazole-1-propanenitrile, β-cyclopentyl-4-[7-[[2-(triMethylsilyl)ethoxy]Methyl]-7H-pyrrolo[2,3-d]pyriMidin-4-yl]-
분자식: C23H32N6OSi
분자량: 436.63

이름 및 동의어

941685-39-83 Cyclopentyl-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo(2.3-d)pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile3 Cyclopentyl-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2.3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrileRefChem:484487692-040-63-cyclopentyl-3-(4-(7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl)propanenitrile1H-Pyrazole-1-propanenitrile, beta-cyclopentyl-4-[7-[[2-(triMethylsilyl)ethoxy]Methyl]-7H-pyrrolo[2,3-d]pyriMidin-4-yl]-1H-Pyrazole-1-propanenitrile, |A-cyclopentyl-4-[7-[[2-(triMethylsilyl)ethoxy]Methyl]-7H-pyrrolo[2,3-d]pyriMidin-4-yl]-3-Cyclopentyl-3-[4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazol-1-yl]propanenitrile(betaR)-beta-Cyclopentyl-4-[7-[[2-(trimethylsilyl)ethoxy]methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-1H-pyrazole-1-propanenitrile1H-Pyrazole-1-propanenitrile, beta-cyclopentyl-4-[7-[[2-(triMethylsilyl)ethoxy]Methyl]-7H-pyrrolo[2,3-d]pyriMidin-4-yl]-, (betaR)-Ruxolitinib Acrylo pyrimidine Impurity

이름 더 보기

Ruxolitinib 2-(trimethylsilyl)ethoxy)methyl Impurity1-((2-(Trimethylisilyl)ethoxy)methyl)-1H-pyrazole derivative3-Cyclopentyl-3-[4-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]pyrazol-1-yl]propanenitrilecyclopentyl-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile1H-Pyrazole-1-propanenitrile, β-cyclopentyl-4-[7-[[2-(triMethylsilyl)ethoxy]Methyl]-7H-pyrrolo[2,3-d]pyriMidin-4-yl]-3-cyclopentyl-3-[4-(7-[2-(trimethylsilyl)ethoxy]methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrileRuxolitinib Acrylo pyrimidine ImpurityQ: What is Ruxolitinib Acrylo pyrimidine Impurity Q: What is the CAS Number of Ruxolitinib Acrylo pyrimidine Impurity Q: What is the storage condition of Ruxolitinib Acrylo pyrimidine Impurity

Ruxolitinib Impurity N629ZNS6XXG5SCHEMBL100448SCHEMBL13243688WLZ3845QHQSWYIJDFMBNE-UHFFFAOYSA-NCS-M2190MFCD26960983

데이터베이스 식별자

CAS: 941685-39-8
PubChem CID: 57477597
UNII: 29ZNS6XXG5
EC Number: 692-040-6

물성

구조 계산 물성

극성 표면적: 81.6 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 5
회전 가능 결합 수: 9
무거운 원자 수: 31
형식 전하: 0
복잡도: 627

물리화학적 성질

끓는 점: 609.8 · 609.8±55.0 °C(Predicted)
밀도: 1.19 · 1.19±0.1 g/cm3(Predicted)
산도 계수 (pKa): 3.66 · 3.66±0.30(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P203, P210, P233, P240, P241, P242, P243, P264, P270, P280, P301+P316, P303+P361+P353, P318, P321, P330, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.