3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid

C19H15F3N2O3 — CID 170587550

IUPAC3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid
SMILESCn1nc(C(F)(F)F)cc(-c2cccc3c(CCC(=O)O)cccc23)c1=O
InChIInChI=1S/C19H15F3N2O3/c1-24-18(27)15(10-16(23-24)19(20,21)22)14-7-3-5-12-11(8-9-17(25)26)4-2-6-13(12)14/h2-7,10H,8-9H2,1H3,(H,25,26)
InChIKeyLNTFGVRBMWEBNZ-UHFFFAOYSA-N
MW376.33 g/mol
LogP3.64
Rot. Bonds4

About 3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid

3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid (PubChem CID 170587550) has the molecular formula C19H15F3N2O3 and a molecular weight of 376.33 g/mol. Its IUPAC name is 3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid
PubChem CID170587550
Molecular FormulaC19H15F3N2O3
Molecular Weight376.33 g/mol
Exact Mass376.10
IUPAC Name3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid
SMILESCn1nc(C(F)(F)F)cc(-c2cccc3c(CCC(=O)O)cccc23)c1=O
InChIInChI=1S/C19H15F3N2O3/c1-24-18(27)15(10-16(23-24)19(20,21)22)14-7-3-5-12-11(8-9-17(25)26)4-2-6-13(12)14/h2-7,10H,8-9H2,1H3,(H,25,26)
InChIKeyLNTFGVRBMWEBNZ-UHFFFAOYSA-N
XLogP3.64
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic 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-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid?
The IUPAC name of 3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid (CID 170587550) is 3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid.
What is the SMILES notation for 3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid?
The canonical SMILES for 3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid is Cn1nc(C(F)(F)F)cc(-c2cccc3c(CCC(=O)O)cccc23)c1=O.
What is the InChIKey of 3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid?
The InChIKey is LNTFGVRBMWEBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N2O3/c1-24-18(27)15(10-16(23-24)19(20,21)22)14-7-3-5-12-11(8-9-17(25)26)4-2-6-13(12)14/h2-7,10H,8-9H2,1H3,(H,25,26).
What are the key properties of 3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid?
3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid has a molecular weight of 376.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-methyl-3-oxo-6-(trifluoromethyl)pyridazin-4-yl]naphthalen-1-yl]propanoic acid is sourced from PubChem (CID 170587550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).