4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-(7-methoxy-1H-inden-5-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-(hydroxymethyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(7-methoxy-1H-inden-5-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

C62H60F8N4O11S — CID 158101271

About 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-(7-methoxy-1H-inden-5-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-(hydroxymethyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(7-methoxy-1H-inden-5-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-(7-methoxy-1H-inden-5-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-(hydroxymethyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(7-methoxy-1H-inden-5-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 158101271) has the molecular formula C62H60F8N4O11S and a molecular weight of 1221.23 g/mol. Its IUPAC name is 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-(7-methoxy-1H-inden-5-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-(hydroxymethyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(7-methoxy-1H-inden-5-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-(7-methoxy-1H-inden-5-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-(hydroxymethyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(7-methoxy-1H-inden-5-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 158101271
• Molecular Formula: C62H60F8N4O11S
• Molecular Weight: 1221.23 g/mol
• Exact Mass: 1220.39
• IUPAC Name: 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-(7-methoxy-1H-inden-5-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-(hydroxymethyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(7-methoxy-1H-inden-5-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• SMILES: COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CO)NS(=O)C(C)(C)C)C(F)(F)F)cc2c1CC=C2.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(N)CO)C(F)(F)F)cc2c1CC=C2
• InChI: InChI=1S/C33H34F4N2O6S.C29H26F4N2O5/c1-30(2,3)46(43)39-31(17-40)18-45-29-24(31)16-27(38-28(29)19-8-10-22(34)11-9-19)32(42,33(35,36)37)13-12-25(41)21-14-20-6-5-7-23(20)26(15-21)44-4;1-39-23-12-18(11-17-3-2-4-20(17)23)22(37)9-10-28(38,29(31,32)33)24-13-21-26(40-15-27(21,34)14-36)25(35-24)16-5-7-19(30)8-6-16/h5-6,8-11,14-16,39-40,42H,7,12-13,17-18H2,1-4H3;2-3,5-8,11-13,36,38H,4,9-10,14-15,34H2,1H3
• InChIKey: FPHBDEAEBMBBOR-UHFFFAOYSA-N
• XLogP: 9.93
• TPSA: 232.88 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1221.23
LogP ≤ 5	9.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

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]-5,5,5-trifluoro-4-hydroxy-1-(7-methoxy-1H-inden-5-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-(hydroxymethyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(7-methoxy-1H-inden-5-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-(7-methoxy-1H-inden-5-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-(hydroxymethyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(7-methoxy-1H-inden-5-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (CID 158101271) is 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-(7-methoxy-1H-inden-5-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-(hydroxymethyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(7-methoxy-1H-inden-5-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

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

The canonical SMILES for 4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-(7-methoxy-1H-inden-5-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-(hydroxymethyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(7-methoxy-1H-inden-5-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CO)NS(=O)C(C)(C)C)C(F)(F)F)cc2c1CC=C2.COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(N)CO)C(F)(F)F)cc2c1CC=C2.

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

The InChIKey is FPHBDEAEBMBBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34F4N2O6S.C29H26F4N2O5/c1-30(2,3)46(43)39-31(17-40)18-45-29-24(31)16-27(38-28(29)19-8-10-22(34)11-9-19)32(42,33(35,36)37)13-12-25(41)21-14-20-6-5-7-23(20)26(15-21)44-4;1-39-23-12-18(11-17-3-2-4-20(17)23)22(37)9-10-28(38,29(31,32)33)24-13-21-26(40-15-27(21,34)14-36)25(35-24)16-5-7-19(30)8-6-16/h5-6,8-11,14-16,39-40,42H,7,12-13,17-18H2,1-4H3;2-3,5-8,11-13,36,38H,4,9-10,14-15,34H2,1H3.

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

4-[3-amino-7-(4-fluorophenyl)-3-(hydroxymethyl)-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-(7-methoxy-1H-inden-5-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-(hydroxymethyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(7-methoxy-1H-inden-5-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 1221.23 g/mol, XLogP of 9.93, 18 rotatable bonds, 6 hydrogen bond donors, and 14 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]-5,5,5-trifluoro-4-hydroxy-1-(7-methoxy-1H-inden-5-yl)pentan-1-one;N-[7-(4-fluorophenyl)-3-(hydroxymethyl)-5-[1,1,1-trifluoro-2-hydroxy-5-(7-methoxy-1H-inden-5-yl)-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 158101271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).