CAS 1439904-36-5

1,1-Dimethylethyl 2-(4-fluorophenyl)-5,7-dihydro-5-(1-pyrrolidinylcarbonyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

Description:

1,1-Dimethylethyl 2-(4-fluorophenyl)-5,7-dihydro-5-(1-pyrrolidinylcarbonyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate, identified by its CAS number 1439904-36-5, is a synthetic organic compound characterized by its complex molecular structure, which includes a pyrrolo[3,4-d]pyrimidine core. This compound features a dimethyl group that enhances its lipophilicity, potentially influencing its bioavailability and pharmacokinetic properties. The presence of a 4-fluorophenyl group suggests possible interactions with biological targets, making it of interest in medicinal chemistry. Additionally, the pyrrolidinylcarbonyl moiety may contribute to its reactivity and binding affinity in biological systems. As a carboxylate ester, it may exhibit stability under certain conditions while being susceptible to hydrolysis. Overall, this compound's unique structural features may confer specific biological activities, warranting further investigation in drug development and therapeutic applications.

Formula: C₂₂H₂₅FN₄O₃

InChI: InChI=1S/C22H25FN4O3/c1-22(2,3)30-21(29)27-13-17-16(18(27)20(28)26-10-4-5-11-26)12-24-19(25-17)14-6-8-15(23)9-7-14/h6-9,12,18H,4-5,10-11,13H2,1-3H3

InChI key: InChIKey=IAJLZVAVZKZMAE-UHFFFAOYSA-N

SMILES: C(=O)(C1C=2C(CN1C(OC(C)(C)C)=O)=NC(=NC2)C3=CC=C(F)C=C3)N4CCCC4

Synonyms:

• 6H-Pyrrolo[3,4-d]pyrimidine-6-carboxylic acid, 2-(4-fluorophenyl)-5,7-dihydro-5-(1-pyrrolidinylcarbonyl)-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 2-(4-fluorophenyl)-5,7-dihydro-5-(1-pyrrolidinylcarbonyl)-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

Tert-Butyl 2-(4-fluorophenyl)-5-(pyrrolidine-1-carbonyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxylate

CAS: 1439904-36-5

Molecular weight: 412.4649963378906

Ref: 10-F300377