4-Methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}-1-piperidinyl)methyl]-1H-indole-2-carbonitrile | CAS No. 1857417-13-0

4-Methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}-1-piperidinyl)methyl]-1H-indole-2-carbonitrile

Basic Information

CAS Number

1857417-13-0

Molecular Formula

C28H27F3N8S

Molecular Weight

564.63 g/mol

AD

Basic Physical Properties

Cc1c(ccc2c1cc(n2Cc3c[nH]nc3)C#N)CN4CCC(CC4)Nc5c6cc(sc6ncn5)CC(F)(F)F

InChI

InChI=1S/C28H27F3N8S/c1-17-19(2-3-25-23(17)8-21(11-32)39(25)14-18-12-35-36-13-18)15-38-6-4-20(5-7-38)37-26-24-9-22(10-28(29,30)31)40-27(24)34-16-33-26/h2-3,8-9,12-13,16,20H,4-7,10,14-15H2,1H3,(H,35,36)(H,33,34,37)

InChIKey

DETOMBLLEOZTMZ-UHFFFAOYSA-N

Complexity

908

Safety Information

View Safety Information

Hazard Statement

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

  • MI-503
  • MI 503
  • MI503
  • 1-((1H-pyrazol-4-yl)methyl)-4-methyl-5-((4-((6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl)amino)piperidin-1-yl)methyl)-1H-indole-2-carbonitrile
  • 4-Methyl-1-(1h-Pyrazol-4-Ylmethyl)-5-[(4-{[6-(2,2,2-Trifluoroethyl)thieno[2,3-D]pyrimidin-4-Yl]amino}piperidin-1-Yl)methyl]-1h-Indole-2-Carbonitrile
  • 4-methyl-1-(1H-pyrazol-4-ylmethyl)-5-[[4-[[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indole-2-carbonitrile
  • 4-Methyl

MDL Number

MFCD28506303

FAQ

What are the physical and chemical properties of 4-Methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}-1-piperidinyl)methyl]-1H-indole-2-carbonitrile (CAS: 1857417-13-0)?

This compound is a crystalline solid with a molecular weight of approximately 744.97 g/mol. It has limited solubility in water but good solubility in organic solvents such as dichloromethane and acetonitrile. Chemically, it is reactive towards nucleophiles and can undergo substitution reactions. It is stable under normal conditions but should be stored in a dry, cool place away from direct sunlight.

How is 4-Methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}-1-piperidinyl)methyl]-1H-indole-2-carbonitrile (CAS: 1857417-13-0) typically synthesized?

This compound is typically synthesized through a multi-step process involving the condensation of a pyrazole derivative and a substituted piperidine. The synthesis requires careful control of reaction conditions and the use of appropriate catalysts to achieve high selectivity and yield. Detailed protocols can be found in chemical literature.

What industries use 4-Methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}-1-piperidinyl)methyl]-1H-indole-2-carbonitrile (CAS: 1857417-13-0)?

This compound is primarily used in the pharmaceutical industry due to its potential as a drug candidate. It may also have applications in the development of sensors and semiconductor materials, although its use in these areas is not as common.

What precautions should be taken when handling 4-Methyl-1-(1H-pyrazol-4-ylmethyl)-5-[(4-{[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino}-1-piperidinyl)methyl]-1H-indole-2-carbonitrile (CAS: 1857417-13-0)?

When handling this compound, it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted under a fume hood to minimize exposure. In case of spill, immediately clean up using absorbent materials and dispose of waste according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.

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