CAS 1020173-40-3

Phenylmethyl 6-[3-(1,1-dimethylethyl)-5-(ethoxycarbonyl)-1H-pyrazol-1-yl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate

Description:

Phenylmethyl 6-[3-(1,1-dimethylethyl)-5-(ethoxycarbonyl)-1H-pyrazol-1-yl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate, identified by its CAS number 1020173-40-3, is a complex organic compound characterized by its unique structural features, including a pyrazole ring and an isoquinoline moiety. This compound typically exhibits moderate to high lipophilicity due to the presence of hydrophobic groups, which can influence its solubility and bioavailability. The ethoxycarbonyl group contributes to its reactivity, potentially allowing for further chemical modifications. Its molecular structure suggests potential applications in medicinal chemistry, particularly in the development of pharmaceuticals targeting various biological pathways. The presence of multiple functional groups may also impart specific pharmacological properties, making it a candidate for further investigation in drug discovery. Additionally, the compound's stability and reactivity can be influenced by environmental factors such as pH and temperature, which are important considerations in both laboratory and therapeutic contexts.

Formula: C₂₇H₃₁N₃O₄

InChI: InChI=1S/C27H31N3O4/c1-5-33-25(31)23-16-24(27(2,3)4)28-30(23)22-12-11-21-17-29(14-13-20(21)15-22)26(32)34-18-19-9-7-6-8-10-19/h6-12,15-16H,5,13-14,17-18H2,1-4H3

InChI key: InChIKey=PKTGNDRQZUPXGG-UHFFFAOYSA-N

SMILES: C(OCC)(=O)C=1N(N=C(C(C)(C)C)C1)C=2C=C3C(=CC2)CN(C(OCC4=CC=CC=C4)=O)CC3

Synonyms:

• 2(1H)-Isoquinolinecarboxylic acid, 6-[3-(1,1-dimethylethyl)-5-(ethoxycarbonyl)-1H-pyrazol-1-yl]-3,4-dihydro-, phenylmethyl ester
• Phenylmethyl 6-[3-(1,1-dimethylethyl)-5-(ethoxycarbonyl)-1H-pyrazol-1-yl]-3,4-dihydro-2(1H)-isoquinolinecarboxylate