4-(3-amino-7-fluoro-3-methyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-fluoro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

C92H112Cl2F2N12O17S3 — CID 158435281

About 4-(3-amino-7-fluoro-3-methyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-fluoro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide

4-(3-amino-7-fluoro-3-methyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-fluoro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (PubChem CID 158435281) has the molecular formula C92H112Cl2F2N12O17S3 and a molecular weight of 1863.08 g/mol. Its IUPAC name is 4-(3-amino-7-fluoro-3-methyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-fluoro-5-[2-hydroxy-5-(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: 4-(3-amino-7-fluoro-3-methyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-fluoro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• PubChem CID: 158435281
• Molecular Formula: C92H112Cl2F2N12O17S3
• Molecular Weight: 1863.08 g/mol
• Exact Mass: 1860.68
• IUPAC Name: 4-(3-amino-7-fluoro-3-methyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-fluoro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide
• SMILES: CC(O)(CN)c1cc2c(c(Cl)n1)OCC2(C)NS(=O)C(C)(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(Cl)n2)OCC3(C)NS(=O)C(C)(C)C)cc2cccnc12.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(F)n2)OCC3(C)N)cc2cccnc12.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(F)n2)OCC3(C)NS(=O)C(C)(C)C)cc2cccnc12
• InChI: InChI=1S/C27H32ClN3O5S.C27H32FN3O5S.C23H24FN3O4.C15H24ClN3O3S/c2*1-25(2,3)37(34)31-26(4)15-36-23-18(26)14-21(30-24(23)28)27(5,33)10-9-19(32)17-12-16-8-7-11-29-22(16)20(13-17)35-6;1-22(25)12-31-20-15(22)11-18(27-21(20)24)23(2,29)7-6-16(28)14-9-13-5-4-8-26-19(13)17(10-14)30-3;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/h2*7-8,11-14,31,33H,9-10,15H2,1-6H3;4-5,8-11,29H,6-7,12,25H2,1-3H3;6,19-20H,7-8,17H2,1-5H3
• InChIKey: HCDNQQWZGGMKHL-UHFFFAOYSA-N
• XLogP: 13.90
• TPSA: 426.31 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1863.08
LogP ≤ 5	13.90
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-7-fluoro-3-methyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-fluoro-5-[2-hydroxy-5-(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 4-(3-amino-7-fluoro-3-methyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-fluoro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide (CID 158435281) is 4-(3-amino-7-fluoro-3-methyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-fluoro-5-[2-hydroxy-5-(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 4-(3-amino-7-fluoro-3-methyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-fluoro-5-[2-hydroxy-5-(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 4-(3-amino-7-fluoro-3-methyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-fluoro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide is CC(O)(CN)c1cc2c(c(Cl)n1)OCC2(C)NS(=O)C(C)(C)C.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(Cl)n2)OCC3(C)NS(=O)C(C)(C)C)cc2cccnc12.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(F)n2)OCC3(C)N)cc2cccnc12.COc1cc(C(=O)CCC(C)(O)c2cc3c(c(F)n2)OCC3(C)NS(=O)C(C)(C)C)cc2cccnc12.

What is the InChIKey of 4-(3-amino-7-fluoro-3-methyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-fluoro-5-[2-hydroxy-5-(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 HCDNQQWZGGMKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32ClN3O5S.C27H32FN3O5S.C23H24FN3O4.C15H24ClN3O3S/c2*1-25(2,3)37(34)31-26(4)15-36-23-18(26)14-21(30-24(23)28)27(5,33)10-9-19(32)17-12-16-8-7-11-29-22(16)20(13-17)35-6;1-22(25)12-31-20-15(22)11-18(27-21(20)24)23(2,29)7-6-16(28)14-9-13-5-4-8-26-19(13)17(10-14)30-3;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/h2*7-8,11-14,31,33H,9-10,15H2,1-6H3;4-5,8-11,29H,6-7,12,25H2,1-3H3;6,19-20H,7-8,17H2,1-5H3.

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

4-(3-amino-7-fluoro-3-methyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-fluoro-5-[2-hydroxy-5-(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 1863.08 g/mol, XLogP of 13.90, 26 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3-amino-7-fluoro-3-methyl-2H-furo[2,3-c]pyridin-5-yl)-4-hydroxy-1-(8-methoxyquinolin-6-yl)pentan-1-one;N-[5-(1-amino-2-hydroxypropan-2-yl)-7-chloro-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-chloro-5-[2-hydroxy-5-(8-methoxyquinolin-6-yl)-5-oxopentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridin-3-yl]-2-methylpropane-2-sulfinamide;N-[7-fluoro-5-[2-hydroxy-5-(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 158435281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).