5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid

C24H30FN3O5Si — CID 140774129

About 5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid

5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid (PubChem CID 140774129) has the molecular formula C24H30FN3O5Si and a molecular weight of 487.60 g/mol. Its IUPAC name is 5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid.

Molecular Properties

• Compound Name: 5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid
• PubChem CID: 140774129
• Molecular Formula: C24H30FN3O5Si
• Molecular Weight: 487.60 g/mol
• Exact Mass: 487.19
• IUPAC Name: 5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid
• SMILES: COc1ccc2c(n1)CCN(C(=O)CCCC(=O)O)[C@H]2C(=O)Nc1ccc([Si](C)(C)C)c(F)c1
• InChI: InChI=1S/C24H30FN3O5Si/c1-33-20-11-9-16-18(27-20)12-13-28(21(29)6-5-7-22(30)31)23(16)24(32)26-15-8-10-19(17(25)14-15)34(2,3)4/h8-11,14,23H,5-7,12-13H2,1-4H3,(H,26,32)(H,30,31)/t23-/m1/s1
• InChIKey: WMNJEAUOPPHEDA-HSZRJFAPSA-N
• XLogP: 3.09
• TPSA: 108.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.60
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid?

The IUPAC name of 5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid (CID 140774129) is 5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid.

What is the SMILES notation for 5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid?

The canonical SMILES for 5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid is COc1ccc2c(n1)CCN(C(=O)CCCC(=O)O)[C@H]2C(=O)Nc1ccc([Si](C)(C)C)c(F)c1.

What is the InChIKey of 5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid?

The InChIKey is WMNJEAUOPPHEDA-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H30FN3O5Si/c1-33-20-11-9-16-18(27-20)12-13-28(21(29)6-5-7-22(30)31)23(16)24(32)26-15-8-10-19(17(25)14-15)34(2,3)4/h8-11,14,23H,5-7,12-13H2,1-4H3,(H,26,32)(H,30,31)/t23-/m1/s1.

What are the key properties of 5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid?

5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid has a molecular weight of 487.60 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5R)-5-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-2-methoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-5-oxopentanoic acid is sourced from PubChem (CID 140774129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).