6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole

C88H92F6N12O14S5 — CID 158116651

IUPAC6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole
SMILESCOc1ccc2c(c1)N=C(S(=O)Cc1ncc(C)c(OC)c1C)C2.COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccnc(CS(=O)C2=Nc3cc(OC(F)F)ccc3C2)c1OC.Cc1c(OCC(C)(F)F)ccnc1CS(=O)C1=Nc2ccccc2C1.Cc1cnc(CS(=O)c2nc3ccccc3[nH]2)c(C)c1OCC(C)(F)F
InChIInChI=1S/C18H19F2N3O2S.C18H18F2N2O2S.C18H20N2O3S.C17H16F2N2O4S.C17H19N3O3S/c1-11-8-21-15(12(2)16(11)25-10-18(3,19)20)9-26(24)17-22-13-6-4-5-7-14(13)23-17;1-12-15(21-8-7-16(12)24-11-18(2,19)20)10-25(23)17-9-13-5-3-4-6-14(13)22-17;1-11-9-19-16(12(2)18(11)23-4)10-24(21)17-7-13-5-6-14(22-3)8-15(13)20-17;1-23-14-5-6-20-13(16(14)24-2)9-26(22)15-7-10-3-4-11(25-17(18)19)8-12(10)21-15;1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h4-8H,9-10H2,1-3H3,(H,22,23);3-8H,9-11H2,1-2H3;5-6,8-9H,7,10H2,1-4H3;3-6,8,17H,7,9H2,1-2H3;5-8H,9H2,1-4H3,(H,19,20)/t;;;;24-/m....0/s1
InChIKeyFRCAFJGDBONYPD-RJLMWVSESA-N
MW1816.10 g/mol
LogP17.26
Rot. Bonds26

About 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole

6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole (PubChem CID 158116651) has the molecular formula C88H92F6N12O14S5 and a molecular weight of 1816.10 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole
PubChem CID158116651
Molecular FormulaC88H92F6N12O14S5
Molecular Weight1816.10 g/mol
Exact Mass1814.54
IUPAC Name6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole
SMILESCOc1ccc2c(c1)N=C(S(=O)Cc1ncc(C)c(OC)c1C)C2.COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccnc(CS(=O)C2=Nc3cc(OC(F)F)ccc3C2)c1OC.Cc1c(OCC(C)(F)F)ccnc1CS(=O)C1=Nc2ccccc2C1.Cc1cnc(CS(=O)c2nc3ccccc3[nH]2)c(C)c1OCC(C)(F)F
InChIInChI=1S/C18H19F2N3O2S.C18H18F2N2O2S.C18H20N2O3S.C17H16F2N2O4S.C17H19N3O3S/c1-11-8-21-15(12(2)16(11)25-10-18(3,19)20)9-26(24)17-22-13-6-4-5-7-14(13)23-17;1-12-15(21-8-7-16(12)24-11-18(2,19)20)10-25(23)17-9-13-5-3-4-6-14(13)22-17;1-11-9-19-16(12(2)18(11)23-4)10-24(21)17-7-13-5-6-14(22-3)8-15(13)20-17;1-23-14-5-6-20-13(16(14)24-2)9-26(22)15-7-10-3-4-11(25-17(18)19)8-12(10)21-15;1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h4-8H,9-10H2,1-3H3,(H,22,23);3-8H,9-11H2,1-2H3;5-6,8-9H,7,10H2,1-4H3;3-6,8,17H,7,9H2,1-2H3;5-8H,9H2,1-4H3,(H,19,20)/t;;;;24-/m....0/s1
InChIKeyFRCAFJGDBONYPD-RJLMWVSESA-N
XLogP17.26
TPSA327.31 Ų
H-Bond Donors2
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001816.10
LogP ≤ 517.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1024

Analyze 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(difluoromethoxy)-2-[[3-methoxy-4-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methoxy]phenyl]methylsulfonyl]-1H-benzimidazole
CID 145976461
5-(2,2,2-Trifluoroethoxy)-2-[(4,5-dimethoxy-3-methyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 15163493
2-[(4,5-Dimethoxy-3-methyl-2-pyridyl)methylsulfinyl]-5-(1,1,2,2-tetrafluoroethoxy)-1H-benzimidazole
CID 15163497
2-[(3,4-dimethoxy-5-methylpyridin-2-yl)methylsulfinyl]-6-(1,1,2,2-tetrafluoroethoxy)-1H-benzimidazole
CID 20131384
2-[(3,4-dimethoxy-5-methylpyridin-2-yl)methylsulfinyl]-6-(2,2,2-trifluoroethoxy)-1H-benzimidazole
CID 20131385
6-(6-methylsulfonylpyridin-3-yl)oxy-2-pyridin-2-yl-5-[4-(trifluoromethyl)phenoxy]-1H-benzimidazole
CID 23145369
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-6-[[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole
CID 44123691
6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfinyl]-1H-benzimidazole
CID 44182411
bis[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-3H-benzimidazol-5-yl] carbonate
CID 44480320
bis[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]-3H-benzimidazol-5-yl] oxalate
CID 44480570
2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]-6-[[2-[[3-methyl-4-(2,2,2-trifluoroethoxy)-2-pyridinyl]methylsulfanyl]-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole
CID 44482428
6-[chloro(difluoro)methoxy]-2-[(4-methoxy-5-phenylmethoxy-2-pyridinyl)methylsulfinyl]-1H-benzimidazole
CID 53634473

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole?
The IUPAC name of 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole (CID 158116651) is 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole.
What is the SMILES notation for 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole?
The canonical SMILES for 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole is COc1ccc2c(c1)N=C(S(=O)Cc1ncc(C)c(OC)c1C)C2.COc1ccc2nc([S@@](=O)Cc3ncc(C)c(OC)c3C)[nH]c2c1.COc1ccnc(CS(=O)C2=Nc3cc(OC(F)F)ccc3C2)c1OC.Cc1c(OCC(C)(F)F)ccnc1CS(=O)C1=Nc2ccccc2C1.Cc1cnc(CS(=O)c2nc3ccccc3[nH]2)c(C)c1OCC(C)(F)F.
What is the InChIKey of 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole?
The InChIKey is FRCAFJGDBONYPD-RJLMWVSESA-N. The full InChI is InChI=1S/C18H19F2N3O2S.C18H18F2N2O2S.C18H20N2O3S.C17H16F2N2O4S.C17H19N3O3S/c1-11-8-21-15(12(2)16(11)25-10-18(3,19)20)9-26(24)17-22-13-6-4-5-7-14(13)23-17;1-12-15(21-8-7-16(12)24-11-18(2,19)20)10-25(23)17-9-13-5-3-4-6-14(13)22-17;1-11-9-19-16(12(2)18(11)23-4)10-24(21)17-7-13-5-6-14(22-3)8-15(13)20-17;1-23-14-5-6-20-13(16(14)24-2)9-26(22)15-7-10-3-4-11(25-17(18)19)8-12(10)21-15;1-10-8-18-15(11(2)16(10)23-4)9-24(21)17-19-13-6-5-12(22-3)7-14(13)20-17/h4-8H,9-10H2,1-3H3,(H,22,23);3-8H,9-11H2,1-2H3;5-6,8-9H,7,10H2,1-4H3;3-6,8,17H,7,9H2,1-2H3;5-8H,9H2,1-4H3,(H,19,20)/t;;;;24-/m....0/s1.
What are the key properties of 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole?
6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole has a molecular weight of 1816.10 g/mol, XLogP of 17.26, 26 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-[(3,4-dimethoxy-2-pyridinyl)methylsulfinyl]-3H-indole;2-[[4-(2,2-difluoropropoxy)-3,5-dimethyl-2-pyridinyl]methylsulfinyl]-1H-benzimidazole;2-[[4-(2,2-difluoropropoxy)-3-methyl-2-pyridinyl]methylsulfinyl]-3H-indole;6-methoxy-2-[(S)-(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1H-benzimidazole;6-methoxy-2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-3H-indole is sourced from PubChem (CID 158116651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).