4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid

C24H15FN4O4 — CID 135430176

IUPAC4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1
InChIInChI=1S/C24H15FN4O4/c25-16-9-3-13(4-10-16)12-18-28-29-23(33-18)21-22(30)20-17(2-1-11-26-20)19(27-21)14-5-7-15(8-6-14)24(31)32/h1-11,30H,12H2,(H,31,32)
InChIKeyOAGRTSABNXXFBS-UHFFFAOYSA-N
MW442.41 g/mol
LogP4.48
Rot. Bonds5

About 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid

4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid (PubChem CID 135430176) has the molecular formula C24H15FN4O4 and a molecular weight of 442.41 g/mol. Its IUPAC name is 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid.

Molecular Properties

Compound Name4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid
PubChem CID135430176
Molecular FormulaC24H15FN4O4
Molecular Weight442.41 g/mol
Exact Mass442.11
IUPAC Name4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid
SMILESO=C(O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1
InChIInChI=1S/C24H15FN4O4/c25-16-9-3-13(4-10-16)12-18-28-29-23(33-18)21-22(30)20-17(2-1-11-26-20)19(27-21)14-5-7-15(8-6-14)24(31)32/h1-11,30H,12H2,(H,31,32)
InChIKeyOAGRTSABNXXFBS-UHFFFAOYSA-N
XLogP4.48
TPSA122.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.41
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid?
The IUPAC name of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid (CID 135430176) is 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid.
What is the SMILES notation for 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid?
The canonical SMILES for 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid is O=C(O)c1ccc(-c2nc(-c3nnc(Cc4ccc(F)cc4)o3)c(O)c3ncccc23)cc1.
What is the InChIKey of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid?
The InChIKey is OAGRTSABNXXFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN4O4/c25-16-9-3-13(4-10-16)12-18-28-29-23(33-18)21-22(30)20-17(2-1-11-26-20)19(27-21)14-5-7-15(8-6-14)24(31)32/h1-11,30H,12H2,(H,31,32).
What are the key properties of 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid?
4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid has a molecular weight of 442.41 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]benzoic acid is sourced from PubChem (CID 135430176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).