1-[3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(2-pyridinylmethyl)methanesulfonamide | CAS No. 1001917-37-8

1-[3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(2-pyridinylmethyl)methanesulfonamide

Basic Information

CAS Number

1001917-37-8

Molecular Formula

C25H21N5O3S

Molecular Weight

471.54 g/mol

AD

Basic Physical Properties

Boiling Point

761.011°C at 760 mmHg

Cn1ncc(c1)c1cnc2c(c1)c(=O)c1cc(ccc1cc2)CS(=O)(=O)NCc1ccccn1

InChI

InChI=1S/C25H21N5O3S/c1-30-15-20(13-28-30)19-11-23-24(27-12-19)8-7-18-6-5-17(10-22(18)25(23)31)16-34(32,33)29-14-21-4-2-3-9-26-21/h2-13,15,29H,14,16H2,1H3

InChIKey

VMJFTOSOFDEKTM-UHFFFAOYSA-N

LogP

3.1633000000000004

Topological Polar Surface Area

106.83999999999999 Ų

Hydrogen Bond Donor/Acceptor

1 / 8

Synonyms & References

English

  • 1-(3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl)-N-(pyridin-2-ylmethyl)methanesulfonamide
  • MK-8033
  • 1-[2-(1-methylpyrazol-4-yl)-11-oxobenzo[1,2]cyclohepta[2,4-b]pyridin-9-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide
  • 3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-N-(2-pyridinyLMethyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridine-7-methanesulfonamide
  • 1-[3-(1-methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(pyridin-2-ylmethyl)methanesulfonamide
  • CS-0560
  • MK8033
  • QCR-58
  • UNII-350H6PBQ5Q
  • 3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-N-(2-pyridinyLMethyl)-5H-benzo[4,5]cyclohepta[1,2-b]pyridin

MDL Number

MFCD18633221

FAQ

What are the physical and chemical properties of 1-[3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(2-pyridinylmethyl)methanesulfonamide (CAS: 1001917-37-8)?

This compound is typically crystalline with a molecular weight of approximately 512.71 g/mol. It has low solubility in water but good solubility in organic solvents like methanol and acetonitrile. It exhibits high reactivity towards nucleophiles and can undergo various transformations under specific conditions. The compound is stable under normal laboratory conditions but reacts with strong bases and acids.

How is 1-[3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(2-pyridinylmethyl)methanesulfonamide (CAS: 1001917-37-8) typically synthesized?

This compound is synthesized via a multi-step process involving the condensation of pyridinylmethylamine with the corresponding sulfonyl chloride derivative, followed by coupling with the pyrazolo[1,5-a]pyridine ring. The reaction is typically performed in the presence of a base such as triethylamine, and the overall yield is around 70-80%.

What industries use 1-[3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(2-pyridinylmethyl)methanesulfonamide (CAS: 1001917-37-8)?

This compound is primarily used in the pharmaceutical industry for its potential as a medicinal chemistry lead compound. It is also of interest in the development of new materials and sensors due to its unique chemical structure and potential reactivity.

What precautions should be taken when handling 1-[3-(1-Methyl-1H-pyrazol-4-yl)-5-oxo-5H-benzo[4,5]cyclohepta[1,2-b]pyridin-7-yl]-N-(2-pyridinylmethyl)methanesulfonamide (CAS: 1001917-37-8)?

Proper personal protective equipment (PPE) including gloves, goggles, and a lab coat should be worn when handling this compound. Work should be conducted in a fume hood to minimize exposure. In case of a spill, it should be carefully cleaned up, and appropriate safety data sheet (SDS) guidelines should be followed for disposal.

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