(4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

C133H158Cl2F3N13O24S4 — CID 160513227

About (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-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]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 160513227) has the molecular formula C133H158Cl2F3N13O24S4 and a molecular weight of 2578.96 g/mol. Its IUPAC name is (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-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]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 160513227
• Molecular Formula: C133H158Cl2F3N13O24S4
• Molecular Weight: 2578.96 g/mol
• Exact Mass: 2575.98
• IUPAC Name: (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](C)(O)CCC(=O)OCc1ccccc1)nc2-c1ccc(F)cc1.CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](C)(O)CCC(=O)OCc1ccccc1)nc2Cl.CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](C)(O)CN)nc2Cl.COc1cc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)N)cc2ccc(CO)nc12.COc1cc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)NS(=O)C(C)(C)C)cc2ccc(CO)nc12
• InChI: InChI=1S/C34H38FN3O6S.C30H30FN3O5.C30H35FN2O5S.C24H31ClN2O5S.C15H24ClN3O3S/c1-32(2,3)45(42)38-33(4)19-44-31-25(33)17-28(37-30(31)20-7-10-23(35)11-8-20)34(5,41)14-13-26(40)22-15-21-9-12-24(18-39)36-29(21)27(16-22)43-6;1-29(32)16-39-28-22(29)14-25(34-27(28)17-4-7-20(31)8-5-17)30(2,37)11-10-23(36)19-12-18-6-9-21(15-35)33-26(18)24(13-19)38-3;1-28(2,3)39(36)33-29(4)19-38-27-23(29)17-24(32-26(27)21-11-13-22(31)14-12-21)30(5,35)16-15-25(34)37-18-20-9-7-6-8-10-20;1-22(2,3)33(30)27-23(4)15-32-20-17(23)13-18(26-21(20)25)24(5,29)12-11-19(28)31-14-16-9-7-6-8-10-16;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/h7-12,15-17,38-39,41H,13-14,18-19H2,1-6H3;4-9,12-14,35,37H,10-11,15-16,32H2,1-3H3;6-14,17,33,35H,15-16,18-19H2,1-5H3;6-10,13,27,29H,11-12,14-15H2,1-5H3;6,19-20H,7-8,17H2,1-5H3/t33-,34-,45?;29-,30-;29-,30-,39?;23-,24-,33?;14-,15-,23?/m11111/s1
• InChIKey: QTHVSHKEBOJUFB-VQGIBCMUSA-N
• XLogP: 20.80
• TPSA: 551.63 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 33
• Rotatable Bonds: 39
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2578.96
LogP ≤ 5	20.80
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

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]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-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]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (CID 160513227) is (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-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]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-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]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](C)(O)CCC(=O)OCc1ccccc1)nc2-c1ccc(F)cc1.CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](C)(O)CCC(=O)OCc1ccccc1)nc2Cl.CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](C)(O)CN)nc2Cl.COc1cc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)N)cc2ccc(CO)nc12.COc1cc(C(=O)CC[C@@](C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OC[C@@]3(C)NS(=O)C(C)(C)C)cc2ccc(CO)nc12.

What is the InChIKey of (4R)-4-[(3S)-3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide?

The InChIKey is QTHVSHKEBOJUFB-VQGIBCMUSA-N. The full InChI is InChI=1S/C34H38FN3O6S.C30H30FN3O5.C30H35FN2O5S.C24H31ClN2O5S.C15H24ClN3O3S/c1-32(2,3)45(42)38-33(4)19-44-31-25(33)17-28(37-30(31)20-7-10-23(35)11-8-20)34(5,41)14-13-26(40)22-15-21-9-12-24(18-39)36-29(21)27(16-22)43-6;1-29(32)16-39-28-22(29)14-25(34-27(28)17-4-7-20(31)8-5-17)30(2,37)11-10-23(36)19-12-18-6-9-21(15-35)33-26(18)24(13-19)38-3;1-28(2,3)39(36)33-29(4)19-38-27-23(29)17-24(32-26(27)21-11-13-22(31)14-12-21)30(5,35)16-15-25(34)37-18-20-9-7-6-8-10-20;1-22(2,3)33(30)27-23(4)15-32-20-17(23)13-18(26-21(20)25)24(5,29)12-11-19(28)31-14-16-9-7-6-8-10-16;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/h7-12,15-17,38-39,41H,13-14,18-19H2,1-6H3;4-9,12-14,35,37H,10-11,15-16,32H2,1-3H3;6-14,17,33,35H,15-16,18-19H2,1-5H3;6-10,13,27,29H,11-12,14-15H2,1-5H3;6,19-20H,7-8,17H2,1-5H3/t33-,34-,45?;29-,30-;29-,30-,39?;23-,24-,33?;14-,15-,23?/m11111/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]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-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]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide has a molecular weight of 2578.96 g/mol, XLogP of 20.80, 39 rotatable bonds, 13 hydrogen bond donors, and 33 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]-4-hydroxy-1-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]pentan-1-one;N-[(3S)-5-[(2R)-1-amino-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;benzyl (4R)-4-[(3S)-3-(tert-butylsulfinylamino)-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoate;N-[(3S)-7-(4-fluorophenyl)-5-[(2R)-2-hydroxy-5-[2-(hydroxymethyl)-8-methoxyquinolin-6-yl]-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 160513227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).