1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid

C23H19F3N2O4 — CID 134262176

IUPAC1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
SMILESCOc1cc(-c2cc(F)cc(F)c2)c(F)cc1-n1c2c(ccc1=O)CN(C(=O)O)C(C)C2
InChIInChI=1S/C23H19F3N2O4/c1-12-5-19-13(11-27(12)23(30)31)3-4-22(29)28(19)20-10-18(26)17(9-21(20)32-2)14-6-15(24)8-16(25)7-14/h3-4,6-10,12H,5,11H2,1-2H3,(H,30,31)
InChIKeyNLJFMKIAXUSUGE-UHFFFAOYSA-N
MW444.41 g/mol
LogP4.36
Rot. Bonds3

About 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid

1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid (PubChem CID 134262176) has the molecular formula C23H19F3N2O4 and a molecular weight of 444.41 g/mol. Its IUPAC name is 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
PubChem CID134262176
Molecular FormulaC23H19F3N2O4
Molecular Weight444.41 g/mol
Exact Mass444.13
IUPAC Name1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid
SMILESCOc1cc(-c2cc(F)cc(F)c2)c(F)cc1-n1c2c(ccc1=O)CN(C(=O)O)C(C)C2
InChIInChI=1S/C23H19F3N2O4/c1-12-5-19-13(11-27(12)23(30)31)3-4-22(29)28(19)20-10-18(26)17(9-21(20)32-2)14-6-15(24)8-16(25)7-14/h3-4,6-10,12H,5,11H2,1-2H3,(H,30,31)
InChIKeyNLJFMKIAXUSUGE-UHFFFAOYSA-N
XLogP4.36
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic 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 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The IUPAC name of 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid (CID 134262176) is 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid.
What is the SMILES notation for 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The canonical SMILES for 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid is COc1cc(-c2cc(F)cc(F)c2)c(F)cc1-n1c2c(ccc1=O)CN(C(=O)O)C(C)C2.
What is the InChIKey of 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
The InChIKey is NLJFMKIAXUSUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N2O4/c1-12-5-19-13(11-27(12)23(30)31)3-4-22(29)28(19)20-10-18(26)17(9-21(20)32-2)14-6-15(24)8-16(25)7-14/h3-4,6-10,12H,5,11H2,1-2H3,(H,30,31).
What are the key properties of 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid?
1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid has a molecular weight of 444.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,5-difluorophenyl)-5-fluoro-2-methoxyphenyl]-7-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylic acid is sourced from PubChem (CID 134262176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).