CAS 313994-79-5: N-[(1R,3S,4S)-3-[[4-[1-Ethyl-3-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]methyl]-4-(3-fluorophenyl)cyclopentyl]-N-methyl-D-valine

Description:N-[(1R,3S,4S)-3-[[4-[1-Ethyl-3-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]methyl]-4-(3-fluorophenyl)cyclopentyl]-N-methyl-D-valine, with CAS number 313994-79-5, is a complex organic compound characterized by its intricate molecular structure, which includes multiple functional groups and stereocenters. This substance features a cyclopentyl moiety, a piperidine ring, and a pyrazole derivative, contributing to its potential biological activity. The presence of a fluorophenyl group may enhance lipophilicity and influence the compound's pharmacokinetic properties. As a derivative of D-valine, it may exhibit specific interactions with biological targets, making it of interest in medicinal chemistry. The stereochemistry indicated by the (1R,3S,4S) configuration suggests that the compound may have distinct chiral properties, which can significantly affect its biological activity and interactions. Overall, this compound's unique structural features position it as a candidate for further research in drug development and therapeutic applications.

Formula:C₃₅H₄₇FN₄O₂

InChI:InChI=1S/C35H47FN4O2/c1-5-40-33(21-30(37-40)18-25-10-7-6-8-11-25)26-14-16-39(17-15-26)23-28-20-31(38(4)34(24(2)3)35(41)42)22-32(28)27-12-9-13-29(36)19-27/h6-13,19,21,24,26,28,31-32,34H,5,14-18,20,22-23H2,1-4H3,(H,41,42)/t28-,31+,32-,34-/m1/s1

InChI key:InChIKey=ZTENZJJCFACIAK-ADWVOTLJSA-N

SMILES:O=C(O)C(N(C)C1CC(C=2C=CC=C(F)C2)C(CN3CCC(C4=CC(=NN4CC)CC=5C=CC=CC5)CC3)C1)C(C)C

Synonyms:
N-[(1R,3S,4S)-3-[[4-[1-Ethyl-3-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]methyl]-4-(3-fluorophenyl)cyclopentyl]-N-methyl-D-valine
CMPD 167
D-Valine, N-[(1R,3S,4S)-3-[[4-[1-ethyl-3-(phenylmethyl)-1H-pyrazol-5-yl]-1-piperidinyl]methyl]-4-(3-fluorophenyl)cyclopentyl]-N-methyl-
MRK 1