4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

C117H159Cl2F2N11O25S3Si2 — CID 159108149

About 4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 159108149) has the molecular formula C117H159Cl2F2N11O25S3Si2 and a molecular weight of 2380.89 g/mol. Its IUPAC name is 4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: 4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 159108149
• Molecular Formula: C117H159Cl2F2N11O25S3Si2
• Molecular Weight: 2380.89 g/mol
• Exact Mass: 2377.96
• IUPAC Name: 4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC(O)(CN)c1cc2c(c(Cl)n1)OCC2(C)NS(=O)C(C)(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4cn(COCC[Si](C)(C)C)c5c(F)cccc45)n2)OCC3(C)N)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4cn(COCC[Si](C)(C)C)c5c(F)cccc45)n2)OCC3(C)NS(=O)C(C)(C)C)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(Cl)n2)OCC3(C)NS(=O)C(C)(C)C)ccc1OCCO
• InChI: InChI=1S/C40H54FN3O8SSi.C36H46FN3O7Si.C26H35ClN2O7S.C15H24ClN3O3S/c1-38(2,3)53(48)43-39(4)24-52-37-29(39)22-34(40(5,47)16-15-31(46)26-13-14-32(51-18-17-45)33(21-26)49-6)42-35(37)28-23-44(25-50-19-20-54(7,8)9)36-27(28)11-10-12-30(36)41;1-35(38)21-47-34-26(35)19-31(36(2,43)13-12-28(42)23-10-11-29(46-15-14-41)30(18-23)44-3)39-32(34)25-20-40(22-45-16-17-48(4,5)6)33-24(25)8-7-9-27(33)37;1-24(2,3)37(33)29-25(4)15-36-22-17(25)14-21(28-23(22)27)26(5,32)10-9-18(31)16-7-8-19(35-12-11-30)20(13-16)34-6;1-13(2,3)23(21)19-14(4)8-22-11-9(14)6-10(18-12(11)16)15(5,20)7-17/h10-14,21-23,43,45,47H,15-20,24-25H2,1-9H3;7-11,18-20,41,43H,12-17,21-22,38H2,1-6H3;7-8,13-14,29-30,32H,9-12,15H2,1-6H3;6,19-20H,7-8,17H2,1-5H3
• InChIKey: KEDNYDZOJWWJTI-UHFFFAOYSA-N
• XLogP: 18.24
• TPSA: 504.34 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 33
• Rotatable Bonds: 47
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2380.89
LogP ≤ 5	18.24
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of 4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (CID 159108149) is 4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for 4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for 4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is CC(O)(CN)c1cc2c(c(Cl)n1)OCC2(C)NS(=O)C(C)(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4cn(COCC[Si](C)(C)C)c5c(F)cccc45)n2)OCC3(C)N)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4cn(COCC[Si](C)(C)C)c5c(F)cccc45)n2)OCC3(C)NS(=O)C(C)(C)C)ccc1OCCO.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(Cl)n2)OCC3(C)NS(=O)C(C)(C)C)ccc1OCCO.

What is the InChIKey of 4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is KEDNYDZOJWWJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H54FN3O8SSi.C36H46FN3O7Si.C26H35ClN2O7S.C15H24ClN3O3S/c1-38(2,3)53(48)43-39(4)24-52-37-29(39)22-34(40(5,47)16-15-31(46)26-13-14-32(51-18-17-45)33(21-26)49-6)42-35(37)28-23-44(25-50-19-20-54(7,8)9)36-27(28)11-10-12-30(36)41;1-35(38)21-47-34-26(35)19-31(36(2,43)13-12-28(42)23-10-11-29(46-15-14-41)30(18-23)44-3)39-32(34)25-20-40(22-45-16-17-48(4,5)6)33-24(25)8-7-9-27(33)37;1-24(2,3)37(33)29-25(4)15-36-22-17(25)14-21(28-23(22)27)26(5,32)10-9-18(31)16-7-8-19(35-12-11-30)20(13-16)34-6;1-13(2,3)23(21)19-14(4)8-22-11-9(14)6-10(18-12(11)16)15(5,20)7-17/h10-14,21-23,43,45,47H,15-20,24-25H2,1-9H3;7-11,18-20,41,43H,12-17,21-22,38H2,1-6H3;7-8,13-14,29-30,32H,9-12,15H2,1-6H3;6,19-20H,7-8,17H2,1-5H3.

What are the key properties of 4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 2380.89 g/mol, XLogP of 18.24, 47 rotatable bonds, 12 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-amino-7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-[7-fluoro-1-(2-trimethylsilylethoxymethyl)indol-3-yl]-5-[2-hydroxy-5-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 159108149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).