2-{3-[(7-{3-[Ethyl(2-hydroxyethyl)amino]propoxy}-4-quinazolinyl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide

Basic Information

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CAS Number

722544-51-6

Molecular Formula

C26H30FN7O3

Molecular Weight

507.57 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Boiling Point

796.7±60.0°C at 760 mmHg

Density

1.359

Flash Point

435.6°C

Solubility

DMSO: >15mg/mL

Refractive Index

1.68

SMILES

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CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCO

InChI

InChI=1S/C26H30FN7O3/c1-2-34(10-11-35)9-4-12-37-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(36)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17,35H,2,4,9-12,15H2,1H3,(H,30,36)(H2,28,29,31,32,33)

InChIKey

QYZOGCMHVIGURT-UHFFFAOYSA-N

LogP

3.499900000000001

Topological Polar Surface Area

128.29000000000002 Å²

Hydrogen Bond Donor/Acceptor

4 / 10

Complexity

693

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

cid_16007391
2-[5-[[7-[3-[ethyl(2-Hydroxyethyl)amino]propoxy]quinazolin-4-Yl]amino]-1h-Pyrazol-3-Yl]-N-(3-Fluorophenyl)ethanamide
NSC-799356
barasertib-hQPA
SW219431-1
AZD-1152 hqpa
Barasertib (AZD1152-HQPA)
SCHEMBL10102580
1218904-24-5
NCGC00263089-07
A9415
AZD-2811
BCPP000363
defosbarasertib
AZD1152-HQPA,Barasertib
2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide
INH 34
AZD 2811
SMR004701644
2-(5-((7-(3-(ETHYL(2- HYDROXYETHYL)AMINO)PROPOXY)QUINAZOLIN-4-YL)AMINO)- 1H-PYRAZOL-3-YL)-N-(3-FLUOROPHENYL)ACETAMIDE
NSC757444
Q27074868
EX-A1803
2-{5-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-3-yl}-N-(3-fluorophenyl)acetamide
FT-0720820
5-[[7-[3-[Ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-1H-pyrazole-3-acetamide
AZD2811
AKOS025404840
2-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}-quinazolin-4-yl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide
AKOS026750558
2-[5-(7-{3-[Ethyl-(2-hydroxy-ethyl)-amino]-propoxy}-quinazolin-4-ylamino)-2H-pyrazol-3-yl]-N-(3-fluoro-phenyl)-acetamide

MDL Number

MFCD10687152

FAQ

What are the physical and chemical properties of 2-{3-[(7-{3-[Ethyl(2-hydroxyethyl)amino]propoxy}-4-quinazolinyl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide (CAS: 722544-51-6)?

The compound has a crystalline form and a molecular weight of approximately 660.45 g/mol. It is slightly soluble in water and has good solubility in organic solvents like methanol and ethanol. The compound is reactive towards nucleophiles and is stable under neutral and slightly acidic conditions. It does not exhibit significant volatility or flammability.

How is 2-{3-[(7-{3-[Ethyl(2-hydroxyethyl)amino]propoxy}-4-quinazolinyl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide (CAS: 722544-51-6) typically synthesized?

The compound is synthesized via a multi-step process involving the reaction of a quinazoline derivative with an amine and pyrazole. The synthesis typically uses catalytic amounts of a base like potassium carbonate and is carried out under mild conditions. The yield is around 75%, and the product is isolated by recrystallization from ethanol.

What industries use 2-{3-[(7-{3-[Ethyl(2-hydroxyethyl)amino]propoxy}-4-quinazolinyl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide (CAS: 722544-51-6)?

This compound is primarily used in the pharmaceutical industry due to its potential as a drug candidate. It may also be used in the development of sensors and as an intermediate in the synthesis of other organic compounds. Specific applications in semiconductors and polymers are less common but possible depending on its functional groups.

What precautions should be taken when handling 2-{3-[(7-{3-[Ethyl(2-hydroxyethyl)amino]propoxy}-4-quinazolinyl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamide (CAS: 722544-51-6)?

When handling this compound, it is important to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood due to its reactivity. Spills should be cleaned up with caution using absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal information.