2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C25H20F5N3O2 — CID 20790392

IUPAC2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(C)(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C25H20F5N3O2/c1-24(2,3)35-21-12-18(25(28,29)30)22-19(34)13-20(31-16-8-4-14(26)5-9-16)33(23(22)32-21)17-10-6-15(27)7-11-17/h4-13,31H,1-3H3
InChIKeyIZZOKEBYWZOMEC-UHFFFAOYSA-N
MW489.44 g/mol
LogP6.60
Rot. Bonds4

About 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20790392) has the molecular formula C25H20F5N3O2 and a molecular weight of 489.44 g/mol. Its IUPAC name is 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20790392
Molecular FormulaC25H20F5N3O2
Molecular Weight489.44 g/mol
Exact Mass489.15
IUPAC Name2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(C)(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C25H20F5N3O2/c1-24(2,3)35-21-12-18(25(28,29)30)22-19(34)13-20(31-16-8-4-14(26)5-9-16)33(23(22)32-21)17-10-6-15(27)7-11-17/h4-13,31H,1-3H3
InChIKeyIZZOKEBYWZOMEC-UHFFFAOYSA-N
XLogP6.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.44
LogP ≤ 56.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one 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 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20790392) is 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CC(C)(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3ccc(F)cc3)n(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is IZZOKEBYWZOMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F5N3O2/c1-24(2,3)35-21-12-18(25(28,29)30)22-19(34)13-20(31-16-8-4-14(26)5-9-16)33(23(22)32-21)17-10-6-15(27)7-11-17/h4-13,31H,1-3H3.
What are the key properties of 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 489.44 g/mol, XLogP of 6.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)-1-(4-fluorophenyl)-7-[(2-methylpropan-2-yl)oxy]-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).