2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one

C24H18F5N3O2 — CID 20790383

IUPAC2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3cccc(F)c3)n(-c3cccc(F)c3)c2n1
InChIInChI=1S/C24H18F5N3O2/c1-13(2)34-21-11-18(24(27,28)29)22-19(33)12-20(30-16-7-3-5-14(25)9-16)32(23(22)31-21)17-8-4-6-15(26)10-17/h3-13,30H,1-2H3
InChIKeyUINKZGGIVKEWHY-UHFFFAOYSA-N
MW475.42 g/mol
LogP6.21
Rot. Bonds5

About 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one

2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one (PubChem CID 20790383) has the molecular formula C24H18F5N3O2 and a molecular weight of 475.42 g/mol. Its IUPAC name is 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one.

Molecular Properties

Compound Name2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
PubChem CID20790383
Molecular FormulaC24H18F5N3O2
Molecular Weight475.42 g/mol
Exact Mass475.13
IUPAC Name2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one
SMILESCC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3cccc(F)c3)n(-c3cccc(F)c3)c2n1
InChIInChI=1S/C24H18F5N3O2/c1-13(2)34-21-11-18(24(27,28)29)22-19(33)12-20(30-16-7-3-5-14(25)9-16)32(23(22)31-21)17-8-4-6-15(26)10-17/h3-13,30H,1-2H3
InChIKeyUINKZGGIVKEWHY-UHFFFAOYSA-N
XLogP6.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.42
LogP ≤ 56.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-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-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The IUPAC name of 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one (CID 20790383) is 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one.
What is the SMILES notation for 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The canonical SMILES for 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one is CC(C)Oc1cc(C(F)(F)F)c2c(=O)cc(Nc3cccc(F)c3)n(-c3cccc(F)c3)c2n1.
What is the InChIKey of 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
The InChIKey is UINKZGGIVKEWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F5N3O2/c1-13(2)34-21-11-18(24(27,28)29)22-19(33)12-20(30-16-7-3-5-14(25)9-16)32(23(22)31-21)17-8-4-6-15(26)10-17/h3-13,30H,1-2H3.
What are the key properties of 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one?
2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one has a molecular weight of 475.42 g/mol, XLogP of 6.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroanilino)-1-(3-fluorophenyl)-7-propan-2-yloxy-5-(trifluoromethyl)-1,8-naphthyridin-4-one is sourced from PubChem (CID 20790383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).