A1AQX

Summary

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	methyl (2S)-2-({(4R)-2-[2,6-difluoro-4-(methylcarbamoyl)phenyl]-7-methylimidazo[1,2-a]pyridin-3-yl}methyl)morpholine-4-carboxylate
OpenEye OEToolkits	2.0.7	methyl (2~{S})-2-[[2-[2,6-bis(fluoranyl)-4-(methylcarbamoyl)phenyl]-7-methyl-imidazo[1,2-a]pyridin-3-yl]methyl]morpholine-4-carboxylate

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COC(=O)N1CC(Cc2c(nc3cc(C)ccn32)c2c(F)cc(cc2F)C(=O)NC)OCC1
InChI	InChI	1.06	InChI=1S/C23H24F2N4O4/c1-13-4-5-29-18(11-15-12-28(6-7-33-15)23(31)32-3)21(27-19(29)8-13)20-16(24)9-14(10-17(20)25)22(30)26-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H,26,30)/t15-/m0/s1
InChIKey	InChI	1.06	SEHLMRJSQFAPCJ-HNNXBMFYSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)c1cc(F)c(c(F)c1)c2nc3cc(C)ccn3c2C[C@H]4CN(CCO4)C(=O)OC
SMILES	CACTVS	3.385	CNC(=O)c1cc(F)c(c(F)c1)c2nc3cc(C)ccn3c2C[CH]4CN(CCO4)C(=O)OC
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1ccn2c(c1)nc(c2C[C@H]3CN(CCO3)C(=O)OC)c4c(cc(cc4F)C(=O)NC)F
SMILES	OpenEye OEToolkits	2.0.7	Cc1ccn2c(c1)nc(c2CC3CN(CCO3)C(=O)OC)c4c(cc(cc4F)C(=O)NC)F