3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid

C26H21FN2O6 — CID 59696234

IUPAC3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid
SMILESCOC(=O)c1nc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccc(OC)cc1
InChIInChI=1S/C26H21FN2O6/c1-33-19-9-5-16(6-10-19)14-35-24-21-20(22(25(30)31)29-23(24)26(32)34-2)12-17(13-28-21)11-15-3-7-18(27)8-4-15/h3-10,12-13H,11,14H2,1-2H3,(H,30,31)
InChIKeyALXZMQUVTFZFPZ-UHFFFAOYSA-N
MW476.46 g/mol
LogP4.43
Rot. Bonds8

About 3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid

3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid (PubChem CID 59696234) has the molecular formula C26H21FN2O6 and a molecular weight of 476.46 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid
PubChem CID59696234
Molecular FormulaC26H21FN2O6
Molecular Weight476.46 g/mol
Exact Mass476.14
IUPAC Name3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid
SMILESCOC(=O)c1nc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccc(OC)cc1
InChIInChI=1S/C26H21FN2O6/c1-33-19-9-5-16(6-10-19)14-35-24-21-20(22(25(30)31)29-23(24)26(32)34-2)12-17(13-28-21)11-15-3-7-18(27)8-4-15/h3-10,12-13H,11,14H2,1-2H3,(H,30,31)
InChIKeyALXZMQUVTFZFPZ-UHFFFAOYSA-N
XLogP4.43
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.46
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid (CID 59696234) is 3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid is COC(=O)c1nc(C(=O)O)c2cc(Cc3ccc(F)cc3)cnc2c1OCc1ccc(OC)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid?
The InChIKey is ALXZMQUVTFZFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21FN2O6/c1-33-19-9-5-16(6-10-19)14-35-24-21-20(22(25(30)31)29-23(24)26(32)34-2)12-17(13-28-21)11-15-3-7-18(27)8-4-15/h3-10,12-13H,11,14H2,1-2H3,(H,30,31).
What are the key properties of 3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid?
3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid has a molecular weight of 476.46 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-7-methoxycarbonyl-8-[(4-methoxyphenyl)methoxy]-1,6-naphthyridine-5-carboxylic acid is sourced from PubChem (CID 59696234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).