1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one

C₁₃₀H₁₃₈F₁₆N₈O₂₆S — CID 158039936

About 1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one

1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one (PubChem CID 158039936) has the molecular formula C₁₃₀H₁₃₈F₁₆N₈O₂₆S and a molecular weight of 2564.60 g/mol. Its IUPAC name is 1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one.

Molecular Properties

• Compound Name: 1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one
• PubChem CID: 158039936
• Molecular Formula: C₁₃₀H₁₃₈F₁₆N₈O₂₆S
• Molecular Weight: 2564.60 g/mol
• Exact Mass: 2562.92
• IUPAC Name: 1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one
• SMILES: CCCOc1c(OC)cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCC=N2)C(F)(F)F)cc1OC.CCCOc1c(OC)cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCCN2)C(F)(F)F)cc1OC.CCCOc1ccc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CCC=O)NS(=O)C(C)(C)C)C(F)(F)F)cc1OC.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCCN2)C(F)(F)F)cc(OC)c1OCCO
• InChI: InChI=1S/C35H40F4N2O7S.C32H34F4N2O6.C32H32F4N2O6.C31H32F4N2O7/c1-6-18-47-27-13-10-23(19-28(27)46-5)26(43)14-16-34(44,35(37,38)39)29-20-25-31(30(40-29)22-8-11-24(36)12-9-22)48-21-33(25,15-7-17-42)41-49(45)32(2,3)4;2*1-4-14-43-29-24(41-2)15-20(16-25(29)42-3)23(39)10-12-31(40,32(34,35)36)26-17-22-28(44-18-30(22)11-5-13-37-30)27(38-26)19-6-8-21(33)9-7-19;1-41-23-14-19(15-24(42-2)28(23)43-13-12-38)22(39)8-10-30(40,31(33,34)35)25-16-21-27(44-17-29(21)9-3-11-36-29)26(37-25)18-4-6-20(32)7-5-18/h8-13,17,19-20,41,44H,6-7,14-16,18,21H2,1-5H3;6-9,15-17,37,40H,4-5,10-14,18H2,1-3H3;6-9,13,15-17,40H,4-5,10-12,14,18H2,1-3H3;4-7,14-16,36,38,40H,3,8-13,17H2,1-2H3
• InChIKey: FIFPCCRFTDESGG-UHFFFAOYSA-N
• XLogP: 24.01
• TPSA: 442.03 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 48
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2564.60
LogP ≤ 5	24.01
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one?

The IUPAC name of 1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one (CID 158039936) is 1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one.

What is the SMILES notation for 1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one?

The canonical SMILES for 1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one is CCCOc1c(OC)cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCC=N2)C(F)(F)F)cc1OC.CCCOc1c(OC)cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCCN2)C(F)(F)F)cc1OC.CCCOc1ccc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CCC=O)NS(=O)C(C)(C)C)C(F)(F)F)cc1OC.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC32CCCN2)C(F)(F)F)cc(OC)c1OCCO.

What is the InChIKey of 1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one?

The InChIKey is FIFPCCRFTDESGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H40F4N2O7S.C32H34F4N2O6.C32H32F4N2O6.C31H32F4N2O7/c1-6-18-47-27-13-10-23(19-28(27)46-5)26(43)14-16-34(44,35(37,38)39)29-20-25-31(30(40-29)22-8-11-24(36)12-9-22)48-21-33(25,15-7-17-42)41-49(45)32(2,3)4;2*1-4-14-43-29-24(41-2)15-20(16-25(29)42-3)23(39)10-12-31(40,32(34,35)36)26-17-22-28(44-18-30(22)11-5-13-37-30)27(38-26)19-6-8-21(33)9-7-19;1-41-23-14-19(15-24(42-2)28(23)43-13-12-38)22(39)8-10-30(40,31(33,34)35)25-16-21-27(44-17-29(21)9-3-11-36-29)26(37-25)18-4-6-20(32)7-5-18/h8-13,17,19-20,41,44H,6-7,14-16,18,21H2,1-5H3;6-9,15-17,37,40H,4-5,10-14,18H2,1-3H3;6-9,13,15-17,40H,4-5,10-12,14,18H2,1-3H3;4-7,14-16,36,38,40H,3,8-13,17H2,1-2H3.

What are the key properties of 1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one?

1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one has a molecular weight of 2564.60 g/mol, XLogP of 24.01, 48 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-3,4-dihydropyrrole]-5-yl]-4-hydroxypentan-1-one;1-(3,5-dimethoxy-4-propoxyphenyl)-5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxypentan-1-one;N-[7-(4-fluorophenyl)-3-(3-oxopropyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(3-methoxy-4-propoxyphenyl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;5,5,5-trifluoro-4-[7-(4-fluorophenyl)spiro[2H-furo[2,3-c]pyridine-3,2'-pyrrolidine]-5-yl]-4-hydroxy-1-[4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl]pentan-1-one is sourced from PubChem (CID 158039936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158039936 — identifiers, structure, computed properties (public domain)

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