4-(4-Fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide | CAS No. 817194-38-0

4-(4-Fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide

Basic Information

CAS Number

817194-38-0

Molecular Formula

C19H16FN5O2

Molecular Weight

365.37 g/mol

AD

Basic Physical Properties

Density

1.421±0.06 g/cm3 (20 ºC 760 Torr),

CC1=C(C(NC(=O)N1)C2=CC=C(C=C2)F)C(=O)NC3=CC4=C(C=C3)NN=C4

InChI

InChI=1S/C19H16FN5O2/c1-10-16(17(24-19(27)22-10)11-2-4-13(20)5-3-11)18(26)23-14-6-7-15-12(8-14)9-21-25-15/h2-9,17H,1H3,(H,21,25)(H,23,26)(H2,22,24,27)

InChIKey

HEAIGWIZTYAQTC-UHFFFAOYSA-N

LogP

2.9686000000000003

Topological Polar Surface Area

98.91000000000001 Ų

Hydrogen Bond Donor/Acceptor

4 / 7

Synonyms & References

English

  • GSK180736A
  • 4-(4-fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
  • GSK-180736A

MDL Number

MFCD30533616

FAQ

What are the physical and chemical properties of 4-(4-Fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide (CAS: 817194-38-0)?

This compound is a crystalline solid with a molecular weight of approximately 389.33 g/mol. It has limited solubility in water but is soluble in organic solvents like DMSO and DMF. The compound is known for its high reactivity towards nucleophiles and can undergo various chemical transformations. It displays good stability under normal conditions but is sensitive to moisture and should be stored under dry conditions.

How is 4-(4-Fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide (CAS: 817194-38-0) typically synthesized?

This compound is typically synthesized via a multi-step process involving condensation reactions, amidation, and electrophilic aromatic substitution. Common starting materials include 4-fluoroaniline and 1H-indazole, with acetic anhydride as a key intermediate. The synthesis involves careful optimization of conditions to achieve high yield and selectivity, often employing catalysts such as Lewis acids or transition metal complexes.

What industries use 4-(4-Fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide (CAS: 817194-38-0)?

This compound is primarily used in the pharmaceutical industry for its potential as a drug candidate with antiviral and anti-inflammatory properties. It may also find applications in the development of new materials for sensors and semiconductors due to its specific functional groups and molecular structure.

What precautions should be taken when handling 4-(4-Fluorophenyl)-N-(1H-indazol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide (CAS: 817194-38-0)?

When handling this compound, it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize exposure to vapors. Spills should be carefully cleaned up using appropriate absorbent materials, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed handling and disposal instructions.

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