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CAS 877399-53-6

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2-Pyridinamine, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-, acetate (1:1)

Description:
2-Pyridinamine, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-, acetate (1:1) is a complex organic compound characterized by its multi-functional structure, which includes a pyridine ring, an ether linkage, and a piperidine moiety. This compound is typically classified as a pharmaceutical intermediate or active ingredient, often investigated for its potential therapeutic applications. The presence of halogen substituents, such as dichloro and fluoro groups, suggests enhanced biological activity and lipophilicity, which can influence its pharmacokinetic properties. The acetate group indicates that it may exist in a salt form, which can affect solubility and stability. The compound's molecular structure allows for various interactions with biological targets, making it a subject of interest in medicinal chemistry. Its CAS number, 877399-53-6, is a unique identifier that facilitates the tracking of its chemical properties and research studies. Overall, this compound exemplifies the complexity and specificity often found in drug design and development.
Formula:C21H22Cl2FN5O·C2H4O2
InChI:InChI=1S/C21H22Cl2FN5O.C2H4O2/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15;1-2(3)4/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27);1H3,(H,3,4)/t12-;/m1./s1
InChI key:InChIKey=LFCVDLCLKZRGFW-UTONKHPSSA-N
SMILES:O([C@H](C)C1=C(Cl)C(F)=CC=C1Cl)C2=CC(C3=CN(N=C3)C4CCNCC4)=CN=C2N.C(C)(O)=O
Synonyms:
  • 2-Pyridinamine, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-, acetate (1:1)
  • [3-[[(R)-1-(2,6-Dichloro-3-fluorophenyl)ethyl]oxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-yl]amine monoacetate
  • 2-Pyridinamine, 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(4-piperidinyl)-1H-pyrazol-4-yl]-, monoacetate
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