About (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one
(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one (PubChem CID 161097595) has the molecular formula C146H130F12N12O9S2
and a molecular weight of 2488.83 g/mol. Its IUPAC name is (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one.
Frequently Asked Questions
What is the IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one?
The IUPAC name of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one (CID 161097595) is (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one.
What is the SMILES notation for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one?
The canonical SMILES for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one is Cc1ccc(-c2conc2[C@@H](CC(=O)CC2=CCc3ccc(F)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccc(-c2conc2[C@@H](CC(=O)CC2=CCc3ccc(O)cc32)Cc2cc(F)cc(F)c2)cc1.Cc1ccccc1-c1scnc1C(CC(=O)Cc1c[nH]c2ccc(O)cc12)Cc1cc(F)cc(F)c1.Cc1ccccc1-c1scnc1C(CC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2)Cc1cc(F)cc(F)c1.Cc1nn(CC(=O)CC(Cc2ccccc2)c2nnc(C)n2-c2ccccc2)c2c1CCCC2.
What is the InChIKey of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one?
The InChIKey is UHZMTQGWBIRCAC-HSZQOUJISA-N. The full InChI is InChI=1S/C30H24F3NO2.C30H25F2NO3.C29H26F5N3OS.C29H24F2N2O2S.C28H31N5O/c1-18-2-4-21(5-3-18)29-17-36-34-30(29)23(10-19-11-25(32)15-26(33)12-19)14-27(35)13-22-7-6-20-8-9-24(31)16-28(20)22;1-18-2-4-21(5-3-18)29-17-36-33-30(29)23(10-19-11-24(31)15-25(32)12-19)14-27(35)13-22-7-6-20-8-9-26(34)16-28(20)22;1-17-6-2-3-7-23(17)27-26(35-16-39-27)19(10-18-11-20(30)14-21(31)12-18)13-22(38)15-37-25-9-5-4-8-24(25)28(36-37)29(32,33)34;1-17-4-2-3-5-25(17)29-28(33-16-36-29)19(8-18-9-21(30)13-22(31)10-18)11-24(35)12-20-15-32-27-7-6-23(34)14-26(20)27;1-20-26-15-9-10-16-27(26)32(31-20)19-25(34)18-23(17-22-11-5-3-6-12-22)28-30-29-21(2)33(28)24-13-7-4-8-14-24/h2-5,7-9,11-12,15-17,23H,6,10,13-14H2,1H3;2-5,7-9,11-12,15-17,23,34H,6,10,13-14H2,1H3;2-3,6-7,11-12,14,16,19H,4-5,8-10,13,15H2,1H3;2-7,9-10,13-16,19,32,34H,8,11-12H2,1H3;3-8,11-14,23H,9-10,15-19H2,1-2H3/t2*23-;;;/m11.../s1.
What are the key properties of (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one?
(4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one has a molecular weight of 2488.83 g/mol, XLogP of 33.87, 40 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-(3,5-difluorophenyl)-1-(6-fluoro-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(4-methylphenyl)-1,2-oxazol-3-yl]pentan-2-one;5-(3,5-difluorophenyl)-1-(5-hydroxy-1H-indol-3-yl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[5-(2-methylphenyl)-1,3-thiazol-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;4-(5-methyl-4-phenyl-1,2,4-triazol-3-yl)-1-(3-methyl-4,5,6,7-tetrahydroindazol-1-yl)-5-phenylpentan-2-one is sourced from PubChem (CID 161097595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).