(3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C37H39F2N3O6 — CID 167566869

About (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167566869) has the molecular formula C37H39F2N3O6 and a molecular weight of 659.73 g/mol. Its IUPAC name is (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167566869
• Molecular Formula: C37H39F2N3O6
• Molecular Weight: 659.73 g/mol
• Exact Mass: 659.28
• IUPAC Name: (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: CC(C)(O)[C@H](F)CNC(=O)[C@@]1(C)COc2c1cc([C@@](C)(O)CCC(=O)c1cc(OC3CC3)c3ncccc3c1)nc2-c1ccc(F)cc1
• InChI: InChI=1S/C37H39F2N3O6/c1-35(2,45)29(39)19-41-34(44)36(3)20-47-33-26(36)18-30(42-32(33)21-7-9-24(38)10-8-21)37(4,46)14-13-27(43)23-16-22-6-5-15-40-31(22)28(17-23)48-25-11-12-25/h5-10,15-18,25,29,45-46H,11-14,19-20H2,1-4H3,(H,41,44)/t29-,36+,37+/m1/s1
• InChIKey: FJXXTFGGJDKBQA-FVKUCFIHSA-N
• XLogP: 5.72
• TPSA: 130.87 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	659.73
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167566869) is (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)[C@@]1(C)COc2c1cc([C@@](C)(O)CCC(=O)c1cc(OC3CC3)c3ncccc3c1)nc2-c1ccc(F)cc1.

What is the InChIKey of (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is FJXXTFGGJDKBQA-FVKUCFIHSA-N. The full InChI is InChI=1S/C37H39F2N3O6/c1-35(2,45)29(39)19-41-34(44)36(3)20-47-33-26(36)18-30(42-32(33)21-7-9-24(38)10-8-21)37(4,46)14-13-27(43)23-16-22-6-5-15-40-31(22)28(17-23)48-25-11-12-25/h5-10,15-18,25,29,45-46H,11-14,19-20H2,1-4H3,(H,41,44)/t29-,36+,37+/m1/s1.

What are the key properties of (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 659.73 g/mol, XLogP of 5.72, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-5-[(2S)-5-(8-cyclopropyloxyquinolin-6-yl)-2-hydroxy-5-oxopentan-2-yl]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167566869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).