5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one

C25H19F4N7O2 — CID 169249500

About 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one

5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one (PubChem CID 169249500) has the molecular formula C25H19F4N7O2 and a molecular weight of 525.47 g/mol. Its IUPAC name is 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one.

Molecular Properties

• Compound Name: 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one
• PubChem CID: 169249500
• Molecular Formula: C25H19F4N7O2
• Molecular Weight: 525.47 g/mol
• Exact Mass: 525.15
• IUPAC Name: 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one
• SMILES: Cc1nc(-c2nccc3[nH]c(-c4c(Oc5ccc(F)cc5C)nnc(C(F)(F)F)c4C)cc(=O)c23)n(C)n1
• InChI: InChI=1S/C25H19F4N7O2/c1-11-9-14(26)5-6-18(11)38-24-19(12(2)22(33-34-24)25(27,28)29)16-10-17(37)20-15(32-16)7-8-30-21(20)23-31-13(3)35-36(23)4/h5-10H,1-4H3,(H,32,37)
• InChIKey: KBOZODAEFQYYSP-UHFFFAOYSA-N
• XLogP: 5.05
• TPSA: 111.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.47
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one?

The IUPAC name of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one (CID 169249500) is 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one.

What is the SMILES notation for 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one?

The canonical SMILES for 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one is Cc1nc(-c2nccc3[nH]c(-c4c(Oc5ccc(F)cc5C)nnc(C(F)(F)F)c4C)cc(=O)c23)n(C)n1.

What is the InChIKey of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one?

The InChIKey is KBOZODAEFQYYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F4N7O2/c1-11-9-14(26)5-6-18(11)38-24-19(12(2)22(33-34-24)25(27,28)29)16-10-17(37)20-15(32-16)7-8-30-21(20)23-31-13(3)35-36(23)4/h5-10H,1-4H3,(H,32,37).

What are the key properties of 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one?

5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one has a molecular weight of 525.47 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-[3-(4-fluoro-2-methylphenoxy)-5-methyl-6-(trifluoromethyl)pyridazin-4-yl]-1H-1,6-naphthyridin-4-one is sourced from PubChem (CID 169249500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).