N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate

C89H92Cl2F6N10O23S2 — CID 160754262

About N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate

N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate (PubChem CID 160754262) has the molecular formula C89H92Cl2F6N10O23S2 and a molecular weight of 1918.79 g/mol. Its IUPAC name is N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate.

Molecular Properties

• Compound Name: N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate
• PubChem CID: 160754262
• Molecular Formula: C89H92Cl2F6N10O23S2
• Molecular Weight: 1918.79 g/mol
• Exact Mass: 1916.51
• IUPAC Name: N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate
• SMILES: CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](O)(CCC(=O)c1cc(OCCO)c3ncccc3c1)C(F)(F)F)nc2Cl.CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](O)(CN)C(F)(F)F)nc2Cl.COC(=O)c1cc(O)c2ncccc2c1.COC(=O)c1cc(OCCO)c2ncccc2c1.O=C(O)c1cc(O)c2ncccc2c1.O=C(O)c1cc(OCCO)c2ncccc2c1
• InChI: InChI=1S/C28H31ClF3N3O6S.C15H21ClF3N3O3S.C13H13NO4.C12H11NO4.C11H9NO3.C10H7NO3/c1-25(2,3)42(39)35-26(4)15-41-23-18(26)14-21(34-24(23)29)27(38,28(30,31)32)8-7-19(37)17-12-16-6-5-9-33-22(16)20(13-17)40-11-10-36;1-12(2,3)26(24)22-13(4)7-25-10-8(13)5-9(21-11(10)16)14(23,6-20)15(17,18)19;1-17-13(16)10-7-9-3-2-4-14-12(9)11(8-10)18-6-5-15;14-4-5-17-10-7-9(12(15)16)6-8-2-1-3-13-11(8)10;1-15-11(14)8-5-7-3-2-4-12-10(7)9(13)6-8;12-8-5-7(10(13)14)4-6-2-1-3-11-9(6)8/h5-6,9,12-14,35-36,38H,7-8,10-11,15H2,1-4H3;5,22-23H,6-7,20H2,1-4H3;2-4,7-8,15H,5-6H2,1H3;1-3,6-7,14H,4-5H2,(H,15,16);2-6,13H,1H3;1-5,12H,(H,13,14)/t26-,27-,42?;13-,14-,26?;;;;/m11..../s1
• InChIKey: RXFKIMRQFFMKBX-SZHCXTMVSA-N
• XLogP: 12.89
• TPSA: 506.48 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 29
• Rotatable Bonds: 24
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1918.79
LogP ≤ 5	12.89
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate?

The IUPAC name of N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate (CID 160754262) is N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate.

What is the SMILES notation for N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate?

The canonical SMILES for N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate is CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](O)(CCC(=O)c1cc(OCCO)c3ncccc3c1)C(F)(F)F)nc2Cl.CC(C)(C)S(=O)N[C@]1(C)COc2c1cc([C@](O)(CN)C(F)(F)F)nc2Cl.COC(=O)c1cc(O)c2ncccc2c1.COC(=O)c1cc(OCCO)c2ncccc2c1.O=C(O)c1cc(O)c2ncccc2c1.O=C(O)c1cc(OCCO)c2ncccc2c1.

What is the InChIKey of N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate?

The InChIKey is RXFKIMRQFFMKBX-SZHCXTMVSA-N. The full InChI is InChI=1S/C28H31ClF3N3O6S.C15H21ClF3N3O3S.C13H13NO4.C12H11NO4.C11H9NO3.C10H7NO3/c1-25(2,3)42(39)35-26(4)15-41-23-18(26)14-21(34-24(23)29)27(38,28(30,31)32)8-7-19(37)17-12-16-6-5-9-33-22(16)20(13-17)40-11-10-36;1-12(2,3)26(24)22-13(4)7-25-10-8(13)5-9(21-11(10)16)14(23,6-20)15(17,18)19;1-17-13(16)10-7-9-3-2-4-14-12(9)11(8-10)18-6-5-15;14-4-5-17-10-7-9(12(15)16)6-8-2-1-3-13-11(8)10;1-15-11(14)8-5-7-3-2-4-12-10(7)9(13)6-8;12-8-5-7(10(13)14)4-6-2-1-3-11-9(6)8/h5-6,9,12-14,35-36,38H,7-8,10-11,15H2,1-4H3;5,22-23H,6-7,20H2,1-4H3;2-4,7-8,15H,5-6H2,1H3;1-3,6-7,14H,4-5H2,(H,15,16);2-6,13H,1H3;1-5,12H,(H,13,14)/t26-,27-,42?;13-,14-,26?;;;;/m11..../s1.

What are the key properties of N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate?

N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate has a molecular weight of 1918.79 g/mol, XLogP of 12.89, 24 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-5-[(2R)-3-amino-1,1,1-trifluoro-2-hydroxypropan-2-yl]-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[(3S)-7-chloro-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;8-(2-hydroxyethoxy)quinoline-6-carboxylic acid;8-hydroxyquinoline-6-carboxylic acid;methyl 8-(2-hydroxyethoxy)quinoline-6-carboxylate;methyl 8-hydroxyquinoline-6-carboxylate is sourced from PubChem (CID 160754262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).