3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine

Basic Information

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CAS Number

1229236-86-5

Molecular Formula

C23H25ClFN7O

Molecular Weight

469.95 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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Cc1cc(n[nH]1)Nc2cc(c3nc(c(n3n2)Cc4ccc(cc4F)Cl)C)CN5CCOCC5

InChI

InChI=1S/C23H25ClFN7O/c1-14-9-21(29-28-14)27-22-11-17(13-31-5-7-33-8-6-31)23-26-15(2)20(32(23)30-22)10-16-3-4-18(24)12-19(16)25/h3-4,9,11-12H,5-8,10,13H2,1-2H3,(H2,27,28,29,30)

InChIKey

SQSZANZGUXWJEA-UHFFFAOYSA-N

LogP

4.028340000000003

Topological Polar Surface Area

83.37 Å²

Hydrogen Bond Donor/Acceptor

2 / 8

Complexity

644

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

LY2784544
3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-amine
3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)-Imidazo[1,2-b]pyridazin-6-amine
3-[(4-chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
LY2784544
LY2874544
gandotinib
Gandotinib [USAN]
LY-2784544
3-[(4-Chloro-2-fluorophenyl)methyl]-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine
LY 2784544
Gandotinib (LY2784544)
LY2784544(Gandotinib)
ANC71R916O
C23H25ClFN7O
3-(4-chloro-2-fluorobenzyl)-2-methyl-N-(3-methyl-1H-pyrazol-5-yl)-8-(morpholinomethyl)imidazo[1,2-b]pyridazin-6-
Gandotinib

MDL Number

MFCD20482143

FAQ

What are the physical and chemical properties of 3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine (CAS: 1229236-86-5)?

The compound is a solid with a crystalline form. Its molecular weight is approximately 600 g/mol. It has low water solubility but good solubility in organic solvents like DMSO. Reactivity is moderate with typical inorganic acids. It is stable under normal storage conditions but should be protected from moisture and light.

How is 3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine (CAS: 1229236-86-5) typically synthesized?

The compound is synthesized via a multi-step process involving the functionalization of a benzyl chloride, followed by coupling reactions with a pyrazole derivative and morpholine. Commonly used catalysts include Pd(PPh3)4 and HATU. The overall yield is around 50-60%, with high selectivity for the desired product.

What industries use 3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine (CAS: 1229236-86-5)?

This compound finds applications in the pharmaceutical industry as an intermediate in the synthesis of bioactive compounds. It is also of interest in the chemical industry for its reactivity and potential use in developing new materials and sensors.

What precautions should be taken when handling 3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine (CAS: 1229236-86-5)?

Proper personal protective equipment (PPE) including gloves, goggles, and lab coat should be worn. Work should be conducted in a fume hood due to its potential volatility. Spills should be cleaned up immediately with appropriate absorbents. Refer to the Safety Data Sheet (SDS) for detailed guidelines on handling and storage.

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1,3-Dibromo-2,4-dichloro-5-fluorobenzene structure

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Compound Q&A

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Compound Q&A

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Compound Q&A

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3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine | CAS No. 1229236-86-5

Basic Information

CAS Number

Molecular Formula

Molecular Weight

Chemical Classification

Basic Physical Properties

Chemical Properties

SMILES

InChI

InChIKey

LogP

Topological Polar Surface Area

Hydrogen Bond Donor/Acceptor

Complexity

Safety Information

Hazard Statement

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine (CAS: 1229236-86-5)?

How is 3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine (CAS: 1229236-86-5) typically synthesized?

What industries use 3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine (CAS: 1229236-86-5)?

What precautions should be taken when handling 3-(4-Chloro-2-fluorobenzyl)-2-methyl-N-(5-methyl-1H-pyrazol-3-yl)-8-(4-morpholinylmethyl)imidazo[1,2-b]pyridazin-6-amine (CAS: 1229236-86-5)?

Related Compounds

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