(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

C29H27FN2O6 — CID 167588532

About (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide

(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (PubChem CID 167588532) has the molecular formula C29H27FN2O6 and a molecular weight of 518.54 g/mol. Its IUPAC name is (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• PubChem CID: 167588532
• Molecular Formula: C29H27FN2O6
• Molecular Weight: 518.54 g/mol
• Exact Mass: 518.19
• IUPAC Name: (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide
• SMILES: C[C@](O)(CCC(=O)c1ccc2c(c1)OCC(=O)C2)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O
• InChI: InChI=1S/C29H27FN2O6/c1-28(27(31)35)15-38-26-21(28)13-24(32-25(26)16-5-7-19(30)8-6-16)29(2,36)10-9-22(34)17-3-4-18-11-20(33)14-37-23(18)12-17/h3-8,12-13,36H,9-11,14-15H2,1-2H3,(H2,31,35)/t28-,29-/m0/s1
• InChIKey: ICSLWGNPEBLHQY-VMPREFPWSA-N
• XLogP: 3.40
• TPSA: 128.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.54
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The IUPAC name of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide (CID 167588532) is (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide.

What is the SMILES notation for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The canonical SMILES for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is C[C@](O)(CCC(=O)c1ccc2c(c1)OCC(=O)C2)c1cc2c(c(-c3ccc(F)cc3)n1)OC[C@]2(C)C(N)=O.

What is the InChIKey of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

The InChIKey is ICSLWGNPEBLHQY-VMPREFPWSA-N. The full InChI is InChI=1S/C29H27FN2O6/c1-28(27(31)35)15-38-26-21(28)13-24(32-25(26)16-5-7-19(30)8-6-16)29(2,36)10-9-22(34)17-3-4-18-11-20(33)14-37-23(18)12-17/h3-8,12-13,36H,9-11,14-15H2,1-2H3,(H2,31,35)/t28-,29-/m0/s1.

What are the key properties of (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide?

(3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide has a molecular weight of 518.54 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-7-(4-fluorophenyl)-5-[(2S)-2-hydroxy-5-oxo-5-(3-oxo-4H-chromen-7-yl)pentan-2-yl]-3-methyl-2H-furo[2,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 167588532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).