About 5-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-4-chloro-2-[[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1S,3S)-3-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carboxylic acid
5-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-4-chloro-2-[[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1S,3S)-3-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carboxylic acid (PubChem CID 161262152) has the molecular formula C164H154BrCl5F4N14O18
and a molecular weight of 2942.28 g/mol. Its IUPAC name is 5-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-4-chloro-2-[[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1S,3S)-3-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 5-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-4-chloro-2-[[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1S,3S)-3-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carboxylic acid?
The IUPAC name of 5-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-4-chloro-2-[[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1S,3S)-3-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carboxylic acid (CID 161262152) is 5-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-4-chloro-2-[[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1S,3S)-3-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-4-chloro-2-[[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1S,3S)-3-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-4-chloro-2-[[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1S,3S)-3-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carboxylic acid is CC(=O)[C@H](CO)NCc1cc(Cl)c(O[C@H]2CCc3c(Br)cccc32)cc1OCc1cncc(C#N)c1.C[C@H](CO)NCc1cc(Cl)c(O[C@H]2CCc3c(-c4ccccc4F)cccc32)cc1OCc1cncc(C(=O)O)c1.N#Cc1cncc(COc2cc(O[C@H]3CCc4c(-c5ccccc5F)cccc43)c(Cl)cc2CN[C@@H]2CCCC[C@@H]2O)c1.N#Cc1cncc(COc2cc(O[C@H]3CCc4c(-c5ccccc5F)cccc43)c(Cl)cc2CN[C@@H]2CCCC[C@H]2O)c1.N#Cc1cncc(COc2cc(O[C@H]3CCc4c(-c5ccccc5F)cccc43)c(Cl)cc2CN[C@H]2CCC[C@H](O)C2)c1.
What is the InChIKey of 5-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-4-chloro-2-[[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1S,3S)-3-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carboxylic acid?
The InChIKey is VCRSQOBKNLPONV-YAZRQSBLSA-N. The full InChI is InChI=1S/3C35H33ClFN3O3.C32H30ClFN2O5.C27H25BrClN3O4/c36-31-14-24(20-40-25-5-3-6-26(41)15-25)34(42-21-23-13-22(17-38)18-39-19-23)16-35(31)43-33-12-11-28-27(8-4-9-30(28)33)29-7-1-2-10-32(29)37;2*36-29-15-24(20-40-31-10-3-4-11-32(31)41)34(42-21-23-14-22(17-38)18-39-19-23)16-35(29)43-33-13-12-26-25(7-5-8-28(26)33)27-6-1-2-9-30(27)37;1-19(17-37)36-16-21-12-27(33)31(13-30(21)40-18-20-11-22(32(38)39)15-35-14-20)41-29-10-9-24-23(6-4-7-26(24)29)25-5-2-3-8-28(25)34;1-16(34)24(14-33)32-13-19-8-23(29)27(36-25-6-5-20-21(25)3-2-4-22(20)28)9-26(19)35-15-18-7-17(10-30)11-31-12-18/h1-2,4,7-10,13-14,16,18-19,25-26,33,40-41H,3,5-6,11-12,15,20-21H2;2*1-2,5-9,14-16,18-19,31-33,40-41H,3-4,10-13,20-21H2;2-8,11-15,19,29,36-37H,9-10,16-18H2,1H3,(H,38,39);2-4,7-9,11-12,24-25,32-33H,5-6,13-15H2,1H3/t25-,26-,33-;31-,32+,33+;31-,32-,33+;19-,29+;24-,25-/m01110/s1.
What are the key properties of 5-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-4-chloro-2-[[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1S,3S)-3-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carboxylic acid?
5-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-4-chloro-2-[[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1S,3S)-3-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carboxylic acid has a molecular weight of 2942.28 g/mol, XLogP of 33.76, 48 rotatable bonds, 11 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-[[(1S)-4-bromo-2,3-dihydro-1H-inden-1-yl]oxy]-4-chloro-2-[[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2R)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(1S,3S)-3-hydroxycyclohexyl]amino]methyl]phenoxy]methyl]pyridine-3-carbonitrile;5-[[4-chloro-5-[[(1S)-4-(2-fluorophenyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2-[[[(2R)-1-hydroxypropan-2-yl]amino]methyl]phenoxy]methyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 161262152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).