(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

C64H62F8N6O11S — CID 159942793

About (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 159942793) has the molecular formula C64H62F8N6O11S and a molecular weight of 1275.28 g/mol. Its IUPAC name is (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

Molecular Properties

• Compound Name: (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 159942793
• Molecular Formula: C64H62F8N6O11S
• Molecular Weight: 1275.28 g/mol
• Exact Mass: 1274.41
• IUPAC Name: (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](O)(CCC(=O)c1cc(OCCO)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1.C[C@@]1(N)COc2c1cc([C@](O)(CCC(=O)c1cc(OCCO)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C34H35F4N3O6S.C30H27F4N3O5/c1-31(2,3)48(45)41-32(4)19-47-30-24(32)18-27(40-29(30)20-7-9-23(35)10-8-20)33(44,34(36,37)38)12-11-25(43)22-16-21-6-5-13-39-28(21)26(17-22)46-15-14-42;1-28(35)16-42-27-21(28)15-24(37-26(27)17-4-6-20(31)7-5-17)29(40,30(32,33)34)9-8-22(39)19-13-18-3-2-10-36-25(18)23(14-19)41-12-11-38/h5-10,13,16-18,41-42,44H,11-12,14-15,19H2,1-4H3;2-7,10,13-15,38,40H,8-9,11-12,16,35H2,1H3/t32-,33-,48?;28-,29-/m11/s1
• InChIKey: OBCFALCSTDDTBP-VAKNSQDCSA-N
• XLogP: 10.67
• TPSA: 258.66 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 20
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1275.28
LogP ≤ 5	10.67
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The IUPAC name of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (CID 159942793) is (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide.

What is the SMILES notation for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The canonical SMILES for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](O)(CCC(=O)c1cc(OCCO)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1.C[C@@]1(N)COc2c1cc([C@](O)(CCC(=O)c1cc(OCCO)c3ncccc3c1)C(F)(F)F)nc2-c1ccc(F)cc1.

What is the InChIKey of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is OBCFALCSTDDTBP-VAKNSQDCSA-N. The full InChI is InChI=1S/C34H35F4N3O6S.C30H27F4N3O5/c1-31(2,3)48(45)41-32(4)19-47-30-24(32)18-27(40-29(30)20-7-9-23(35)10-8-20)33(44,34(36,37)38)12-11-25(43)22-16-21-6-5-13-39-28(21)26(17-22)46-15-14-42;1-28(35)16-42-27-21(28)15-24(37-26(27)17-4-6-20(31)7-5-17)29(40,30(32,33)34)9-8-22(39)19-13-18-3-2-10-36-25(18)23(14-19)41-12-11-38/h5-10,13,16-18,41-42,44H,11-12,14-15,19H2,1-4H3;2-7,10,13-15,38,40H,8-9,11-12,16,35H2,1H3/t32-,33-,48?;28-,29-/m11/s1.

What are the key properties of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 1275.28 g/mol, XLogP of 10.67, 20 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxy-1-[8-(2-hydroxyethoxy)quinolin-6-yl]pentan-1-one;N-[(3S)-7-(4-fluorophenyl)-3-methyl-5-[(2R)-1,1,1-trifluoro-2-hydroxy-5-[8-(2-hydroxyethoxy)quinolin-6-yl]-5-oxopentan-2-yl]-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 159942793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).