4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride

C95H99ClF3N9O17S2 — CID 158367158

About 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride

4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride (PubChem CID 158367158) has the molecular formula C95H99ClF3N9O17S2 and a molecular weight of 1795.46 g/mol. Its IUPAC name is 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride.

Molecular Properties

• Compound Name: 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride
• PubChem CID: 158367158
• Molecular Formula: C95H99ClF3N9O17S2
• Molecular Weight: 1795.46 g/mol
• Exact Mass: 1793.62
• IUPAC Name: 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride
• SMILES: COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C=O)NS(=O)C(C)(C)C)cc2cccnc12.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CO)NS(=O)C(C)(C)C)cc2cccnc12.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(N)CO)cc2cccnc12.Cl
• InChI: InChI=1S/C33H36FN3O6S.C33H34FN3O6S.C29H28FN3O5.ClH/c2*1-31(2,3)44(41)37-33(18-38)19-43-30-24(33)17-27(36-29(30)20-8-10-23(34)11-9-20)32(4,40)13-12-25(39)22-15-21-7-6-14-35-28(21)26(16-22)42-5;1-28(36,10-9-22(35)19-12-18-4-3-11-32-25(18)23(13-19)37-2)24-14-21-27(38-16-29(21,31)15-34)26(33-24)17-5-7-20(30)8-6-17;/h6-11,14-17,37-38,40H,12-13,18-19H2,1-5H3;6-11,14-18,37,40H,12-13,19H2,1-5H3;3-8,11-14,34,36H,9-10,15-16,31H2,1-2H3;1H
• InChIKey: AKTQRMGSPHPMFI-UHFFFAOYSA-N
• XLogP: 14.38
• TPSA: 386.37 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 28
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1795.46
LogP ≤ 5	14.38
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride?

The IUPAC name of 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride (CID 158367158) is 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride.

What is the SMILES notation for 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride?

The canonical SMILES for 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride is COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C=O)NS(=O)C(C)(C)C)cc2cccnc12.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CO)NS(=O)C(C)(C)C)cc2cccnc12.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(N)CO)cc2cccnc12.Cl.

What is the InChIKey of 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride?

The InChIKey is AKTQRMGSPHPMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN3O6S.C33H34FN3O6S.C29H28FN3O5.ClH/c2*1-31(2,3)44(41)37-33(18-38)19-43-30-24(33)17-27(36-29(30)20-8-10-23(34)11-9-20)32(4,40)13-12-25(39)22-15-21-7-6-14-35-28(21)26(16-22)42-5;1-28(36,10-9-22(35)19-12-18-4-3-11-32-25(18)23(13-19)37-2)24-14-21-27(38-16-29(21,31)15-34)26(33-24)17-5-7-20(30)8-6-17;/h6-11,14-17,37-38,40H,12-13,18-19H2,1-5H3;6-11,14-18,37,40H,12-13,19H2,1-5H3;3-8,11-14,34,36H,9-10,15-16,31H2,1-2H3;1H.

What are the key properties of 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride?

4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride has a molecular weight of 1795.46 g/mol, XLogP of 14.38, 28 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-formyl-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-(4-fluorophenyl)-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;hydrochloride is sourced from PubChem (CID 158367158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).