4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone

Basic Information

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CAS Number

1443530-05-9

Molecular Formula

C23H26N6O3S

Molecular Weight

466.57 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 Amines

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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Cc1cc2cc(sc2c(c1)OC)c3c(c(n4c3c(ncn4)N)CN5CCNC(=O)C5)COC

InChI

InChI=1S/C23H26N6O3S/c1-13-6-14-8-18(33-22(14)17(7-13)32-3)20-15(11-31-2)16(9-28-5-4-25-19(30)10-28)29-21(20)23(24)26-12-27-29/h6-8,12H,4-5,9-11H2,1-3H3,(H,25,30)(H2,24,26,27)

InChIKey

HNLRRJSKGXOYNO-UHFFFAOYSA-N

LogP

2.588420000000001

Topological Polar Surface Area

107.01 Å²

Hydrogen Bond Donor/Acceptor

3 / 9

Complexity

703

Synonyms & References

English

Rogaratinib
98BSN6N516
BAY1163877
4-((4-amino-5-(7-methoxy-5-methylbenzo[b]thiophen-2-yl)-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-7-yl)methyl)piperazin-2-one
4-[[4-amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl]piperazin-2-one
4-((4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo(2,1-f)(1,2,4)triazin-7-yl)methyl)piperazin-2-one
Rogaratinib [INN]
GTPL9789
BDBM194820
BCP25142
NSC804518
DB15078
Example 1 [WO2013087578]
SB19772
BAY 11638

MDL Number

MFCD30533278

FAQ

What are the physical and chemical properties of 4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone (CAS: 1443530-05-9)?

4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone (CAS: 1443530-05-9) is a crystalline solid with a molecular weight of approximately 687.74 g/mol. It has a low solubility in water but is soluble in organic solvents such as methanol and dimethylformamide. The compound is reactive towards base and can undergo hydrolysis under basic conditions. It is stable under normal storage conditions but should be stored in a cool, dry place away from direct sunlight.

How is 4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone (CAS: 1443530-05-9) typically synthesized?

4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone (CAS: 1443530-05-9) is typically synthesized via multistep organic synthesis involving condensation, alkylation, and ring formation reactions. The process requires careful temperature control, use of appropriate solvents, and catalysts. The overall yield is moderate, with selectivity towards the desired product being a key challenge.

What industries use 4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone (CAS: 1443530-05-9)?

4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone (CAS: 1443530-05-9) is primarily used in pharmaceutical and research applications due to its unique chemical structure. It may also find applications in the development of novel materials, such as sensors and semiconductors, due to its electronic properties.

What precautions should be taken when handling 4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone (CAS: 1443530-05-9)?

When handling 4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone (CAS: 1443530-05-9), it is recommended to use personal protective equipment such as gloves, goggles, and a lab coat. The compound should be used in a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Refer to the Safety Data Sheet (SDS) for detailed handling and disposal information.

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4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone | CAS No. 1443530-05-9

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

Synonyms & References

English

MDL Number

FAQ

What are the physical and chemical properties of 4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone (CAS: 1443530-05-9)?

How is 4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone (CAS: 1443530-05-9) typically synthesized?

What industries use 4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone (CAS: 1443530-05-9)?

What precautions should be taken when handling 4-{[4-Amino-6-(methoxymethyl)-5-(7-methoxy-5-methyl-1-benzothiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]methyl}-2-piperazinone (CAS: 1443530-05-9)?

Related Compounds

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