- 2 of 2 defined stereocentres
2-[4-({2-[(2R,5R)-2-Cyano-5-ethynyl-1-pyrrolidinyl]-2-oxoethyl}amino)-4-methyl-1-piperidinyl]isonicotinic acid
CC1(CCN(CC1)C1=CC(=CC=N1)C(O)=O)NCC(=O)N1[C@H](CC[C@@H]1C#C)C#N
InChI=1S/C21H25N5O3/c1-3-16-4-5-17(13-22)26(16)19(27)14-24-21(2)7-10-25(11-8-21)18-12-15(20(28)29)6-9-23-18/h1,6,9,12,16-17,24H,4-5,7-8,10-11,14H2,2H3,(H,28,29)/t16-,17+/m0/s1
FIMRNLAKAARHPD-DLBZAZTESA-N
CSID:114815631, http://www.chemspider.com/Chemical-Structure.114815631.html (accessed 22:27, Dec 9, 2023)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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