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

C24H30FN3O5Si — CID 154406847

IUPAC5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid
SMILESCOc1ccc2c(n1)NCC(C(=O)CCCC(=O)O)[C@H]2C(=O)Nc1ccc([Si](C)(C)C)c(F)c1
InChIInChI=1S/C24H30FN3O5Si/c1-33-20-11-9-15-22(16(13-26-23(15)28-20)18(29)6-5-7-21(30)31)24(32)27-14-8-10-19(17(25)12-14)34(2,3)4/h8-12,16,22H,5-7,13H2,1-4H3,(H,26,28)(H,27,32)(H,30,31)/t16?,22-/m0/s1
InChIKeySJOGSJGGCKMTID-XLDIYJRPSA-N
MW487.60 g/mol
LogP3.36
Rot. Bonds9

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

5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid (PubChem CID 154406847) has the molecular formula C24H30FN3O5Si and a molecular weight of 487.60 g/mol. Its IUPAC name is 5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid
PubChem CID154406847
Molecular FormulaC24H30FN3O5Si
Molecular Weight487.60 g/mol
Exact Mass487.19
IUPAC Name5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid
SMILESCOc1ccc2c(n1)NCC(C(=O)CCCC(=O)O)[C@H]2C(=O)Nc1ccc([Si](C)(C)C)c(F)c1
InChIInChI=1S/C24H30FN3O5Si/c1-33-20-11-9-15-22(16(13-26-23(15)28-20)18(29)6-5-7-21(30)31)24(32)27-14-8-10-19(17(25)12-14)34(2,3)4/h8-12,16,22H,5-7,13H2,1-4H3,(H,26,28)(H,27,32)(H,30,31)/t16?,22-/m0/s1
InChIKeySJOGSJGGCKMTID-XLDIYJRPSA-N
XLogP3.36
TPSA117.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid (CID 154406847) is 5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid is COc1ccc2c(n1)NCC(C(=O)CCCC(=O)O)[C@H]2C(=O)Nc1ccc([Si](C)(C)C)c(F)c1.
What is the InChIKey of 5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid?
The InChIKey is SJOGSJGGCKMTID-XLDIYJRPSA-N. The full InChI is InChI=1S/C24H30FN3O5Si/c1-33-20-11-9-15-22(16(13-26-23(15)28-20)18(29)6-5-7-21(30)31)24(32)27-14-8-10-19(17(25)12-14)34(2,3)4/h8-12,16,22H,5-7,13H2,1-4H3,(H,26,28)(H,27,32)(H,30,31)/t16?,22-/m0/s1.
What are the key properties of 5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid?
5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid has a molecular weight of 487.60 g/mol, XLogP of 3.36, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-4-[(3-fluoro-4-trimethylsilylphenyl)carbamoyl]-7-methoxy-1,2,3,4-tetrahydro-1,8-naphthyridin-3-yl]-5-oxopentanoic acid is sourced from PubChem (CID 154406847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).