5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile

C160H158N14O40S8 — CID 158011184

IUPAC5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile
SMILESCC(C)(O)CCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.CS(=O)(=O)CCCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.Cc1nc(OCCC(C)(C)O)ccc1Oc1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS2(=O)=O)cc1.Cc1nc(OCCCS(C)(=O)=O)ccc1Oc1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS2(=O)=O)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)nc1
InChIInChI=1S/C29H32N2O7S.C28H30N2O8S2.C28H30N2O7S.C27H28N2O8S2.2C24H19N3O5S/c1-18-23(13-14-28(30-18)36-16-15-29(2,3)33)38-24-6-4-5-21-22(24)11-12-25(21)37-20-9-7-19(8-10-20)26-17-27(32)31-39(26,34)35;1-18-23(13-14-28(29-18)36-15-4-16-39(2,32)33)38-24-6-3-5-21-22(24)11-12-25(21)37-20-9-7-19(8-10-20)26-17-27(31)30-40(26,34)35;1-28(2,32)14-15-35-27-13-10-20(17-29-27)37-23-5-3-4-21-22(23)11-12-24(21)36-19-8-6-18(7-9-19)25-16-26(31)30-38(25,33)34;1-38(31,32)15-3-14-35-27-13-10-20(17-28-27)37-23-5-2-4-21-22(23)11-12-24(21)36-19-8-6-18(7-9-19)25-16-26(30)29-39(25,33)34;25-13-15-4-11-24(26-14-15)32-20-3-1-2-18-19(20)9-10-21(18)31-17-7-5-16(6-8-17)22-12-23(28)27-33(22,29)30;25-13-16-6-9-18(14-26-16)32-21-3-1-2-19-20(21)10-11-22(19)31-17-7-4-15(5-8-17)23-12-24(28)27-33(23,29)30/h4-10,13-14,25-26,33H,11-12,15-17H2,1-3H3,(H,31,32);3,5-10,13-14,25-26H,4,11-12,15-17H2,1-2H3,(H,30,31);3-10,13,17,24-25,32H,11-12,14-16H2,1-2H3,(H,30,31);2,4-10,13,17,24-25H,3,11-12,14-16H2,1H3,(H,29,30);1-8,11,14,21-22H,9-10,12H2,(H,27,28);1-9,14,22-23H,10-12H2,(H,27,28)/t2*25-,26?;2*24-,25?;21-,22?;22-,23?/m111111/s1
InChIKeyFEXDHVRDAGRDRJ-UEYAVFNMSA-N
MW3173.62 g/mol
LogP24.05
Rot. Bonds48

About 5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile

5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile (PubChem CID 158011184) has the molecular formula C160H158N14O40S8 and a molecular weight of 3173.62 g/mol. Its IUPAC name is 5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile
PubChem CID158011184
Molecular FormulaC160H158N14O40S8
Molecular Weight3173.62 g/mol
Exact Mass3170.85
IUPAC Name5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile
SMILESCC(C)(O)CCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.CS(=O)(=O)CCCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.Cc1nc(OCCC(C)(C)O)ccc1Oc1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS2(=O)=O)cc1.Cc1nc(OCCCS(C)(=O)=O)ccc1Oc1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS2(=O)=O)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)nc1
InChIInChI=1S/C29H32N2O7S.C28H30N2O8S2.C28H30N2O7S.C27H28N2O8S2.2C24H19N3O5S/c1-18-23(13-14-28(30-18)36-16-15-29(2,3)33)38-24-6-4-5-21-22(24)11-12-25(21)37-20-9-7-19(8-10-20)26-17-27(32)31-39(26,34)35;1-18-23(13-14-28(29-18)36-15-4-16-39(2,32)33)38-24-6-3-5-21-22(24)11-12-25(21)37-20-9-7-19(8-10-20)26-17-27(31)30-40(26,34)35;1-28(2,32)14-15-35-27-13-10-20(17-29-27)37-23-5-3-4-21-22(23)11-12-24(21)36-19-8-6-18(7-9-19)25-16-26(31)30-38(25,33)34;1-38(31,32)15-3-14-35-27-13-10-20(17-28-27)37-23-5-2-4-21-22(23)11-12-24(21)36-19-8-6-18(7-9-19)25-16-26(30)29-39(25,33)34;25-13-15-4-11-24(26-14-15)32-20-3-1-2-18-19(20)9-10-21(18)31-17-7-5-16(6-8-17)22-12-23(28)27-33(22,29)30;25-13-16-6-9-18(14-26-16)32-21-3-1-2-19-20(21)10-11-22(19)31-17-7-4-15(5-8-17)23-12-24(28)27-33(23,29)30/h4-10,13-14,25-26,33H,11-12,15-17H2,1-3H3,(H,31,32);3,5-10,13-14,25-26H,4,11-12,15-17H2,1-2H3,(H,30,31);3-10,13,17,24-25,32H,11-12,14-16H2,1-2H3,(H,30,31);2,4-10,13,17,24-25H,3,11-12,14-16H2,1H3,(H,29,30);1-8,11,14,21-22H,9-10,12H2,(H,27,28);1-9,14,22-23H,10-12H2,(H,27,28)/t2*25-,26?;2*24-,25?;21-,22?;22-,23?/m111111/s1
InChIKeyFEXDHVRDAGRDRJ-UEYAVFNMSA-N
XLogP24.05
TPSA760.78 Ų
H-Bond Donors8
H-Bond Acceptors48
Rotatable Bonds48
Heavy Atoms222
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003173.62
LogP ≤ 524.05
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1048

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile?
The IUPAC name of 5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile (CID 158011184) is 5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile?
The canonical SMILES for 5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile is CC(C)(O)CCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.CS(=O)(=O)CCCOc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.Cc1nc(OCCC(C)(C)O)ccc1Oc1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS2(=O)=O)cc1.Cc1nc(OCCCS(C)(=O)=O)ccc1Oc1cccc2c1CC[C@H]2Oc1ccc(C2CC(=O)NS2(=O)=O)cc1.N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)cn1.N#Cc1ccc(Oc2cccc3c2CC[C@H]3Oc2ccc(C3CC(=O)NS3(=O)=O)cc2)nc1.
What is the InChIKey of 5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile?
The InChIKey is FEXDHVRDAGRDRJ-UEYAVFNMSA-N. The full InChI is InChI=1S/C29H32N2O7S.C28H30N2O8S2.C28H30N2O7S.C27H28N2O8S2.2C24H19N3O5S/c1-18-23(13-14-28(30-18)36-16-15-29(2,3)33)38-24-6-4-5-21-22(24)11-12-25(21)37-20-9-7-19(8-10-20)26-17-27(32)31-39(26,34)35;1-18-23(13-14-28(29-18)36-15-4-16-39(2,32)33)38-24-6-3-5-21-22(24)11-12-25(21)37-20-9-7-19(8-10-20)26-17-27(31)30-40(26,34)35;1-28(2,32)14-15-35-27-13-10-20(17-29-27)37-23-5-3-4-21-22(23)11-12-24(21)36-19-8-6-18(7-9-19)25-16-26(31)30-38(25,33)34;1-38(31,32)15-3-14-35-27-13-10-20(17-28-27)37-23-5-2-4-21-22(23)11-12-24(21)36-19-8-6-18(7-9-19)25-16-26(30)29-39(25,33)34;25-13-15-4-11-24(26-14-15)32-20-3-1-2-18-19(20)9-10-21(18)31-17-7-5-16(6-8-17)22-12-23(28)27-33(22,29)30;25-13-16-6-9-18(14-26-16)32-21-3-1-2-19-20(21)10-11-22(19)31-17-7-4-15(5-8-17)23-12-24(28)27-33(23,29)30/h4-10,13-14,25-26,33H,11-12,15-17H2,1-3H3,(H,31,32);3,5-10,13-14,25-26H,4,11-12,15-17H2,1-2H3,(H,30,31);3-10,13,17,24-25,32H,11-12,14-16H2,1-2H3,(H,30,31);2,4-10,13,17,24-25H,3,11-12,14-16H2,1H3,(H,29,30);1-8,11,14,21-22H,9-10,12H2,(H,27,28);1-9,14,22-23H,10-12H2,(H,27,28)/t2*25-,26?;2*24-,25?;21-,22?;22-,23?/m111111/s1.
What are the key properties of 5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile?
5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile has a molecular weight of 3173.62 g/mol, XLogP of 24.05, 48 rotatable bonds, 8 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-2-methyl-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-hydroxy-3-methylbutoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[2-methyl-6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[4-[[(1R)-4-[[6-(3-methylsulfonylpropoxy)-3-pyridinyl]oxy]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,1-dioxo-1,2-thiazolidin-3-one;5-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-2-carbonitrile;6-[[(1R)-1-[4-(1,1,3-trioxo-1,2-thiazolidin-5-yl)phenoxy]-2,3-dihydro-1H-inden-4-yl]oxy]pyridine-3-carbonitrile is sourced from PubChem (CID 158011184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).