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

C24H19FN2O3 — CID 23149785

IUPAC3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
SMILESCc1nc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C24H19FN2O3/c1-15-20-12-18(11-16-7-9-19(25)10-8-16)13-26-21(20)23(22(27-15)24(28)29)30-14-17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3,(H,28,29)
InChIKeyGVZGWSZJKYUHQK-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.95
Rot. Bonds6

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

3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid (PubChem CID 23149785) has the molecular formula C24H19FN2O3 and a molecular weight of 402.43 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
PubChem CID23149785
Molecular FormulaC24H19FN2O3
Molecular Weight402.43 g/mol
Exact Mass402.14
IUPAC Name3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid
SMILESCc1nc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12
InChIInChI=1S/C24H19FN2O3/c1-15-20-12-18(11-16-7-9-19(25)10-8-16)13-26-21(20)23(22(27-15)24(28)29)30-14-17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3,(H,28,29)
InChIKeyGVZGWSZJKYUHQK-UHFFFAOYSA-N
XLogP4.95
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-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 3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The IUPAC name of 3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid (CID 23149785) is 3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid.
What is the SMILES notation for 3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The canonical SMILES for 3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid is Cc1nc(C(=O)O)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)cc12.
What is the InChIKey of 3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
The InChIKey is GVZGWSZJKYUHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3/c1-15-20-12-18(11-16-7-9-19(25)10-8-16)13-26-21(20)23(22(27-15)24(28)29)30-14-17-5-3-2-4-6-17/h2-10,12-13H,11,14H2,1H3,(H,28,29).
What are the key properties of 3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid?
3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid has a molecular weight of 402.43 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)methyl]-5-methyl-8-phenylmethoxy-1,6-naphthyridine-7-carboxylic acid is sourced from PubChem (CID 23149785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).