1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one

C21H16F3N3O2 — CID 67362393

IUPAC1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one
SMILESO=C1CC2(CCN1c1ccc3ncc(C(F)(F)F)cc3n1)OCc1ccccc12
InChIInChI=1S/C21H16F3N3O2/c22-21(23,24)14-9-17-16(25-11-14)5-6-18(26-17)27-8-7-20(10-19(27)28)15-4-2-1-3-13(15)12-29-20/h1-6,9,11H,7-8,10,12H2
InChIKeyVUKGDOYFOODJFT-UHFFFAOYSA-N
MW399.37 g/mol
LogP4.20
Rot. Bonds1

About 1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one

1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one (PubChem CID 67362393) has the molecular formula C21H16F3N3O2 and a molecular weight of 399.37 g/mol. Its IUPAC name is 1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one.

Molecular Properties

Compound Name1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one
PubChem CID67362393
Molecular FormulaC21H16F3N3O2
Molecular Weight399.37 g/mol
Exact Mass399.12
IUPAC Name1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one
SMILESO=C1CC2(CCN1c1ccc3ncc(C(F)(F)F)cc3n1)OCc1ccccc12
InChIInChI=1S/C21H16F3N3O2/c22-21(23,24)14-9-17-16(25-11-14)5-6-18(26-17)27-8-7-20(10-19(27)28)15-4-2-1-3-13(15)12-29-20/h1-6,9,11H,7-8,10,12H2
InChIKeyVUKGDOYFOODJFT-UHFFFAOYSA-N
XLogP4.20
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-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 1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one?
The IUPAC name of 1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one (CID 67362393) is 1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one.
What is the SMILES notation for 1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one?
The canonical SMILES for 1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one is O=C1CC2(CCN1c1ccc3ncc(C(F)(F)F)cc3n1)OCc1ccccc12.
What is the InChIKey of 1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one?
The InChIKey is VUKGDOYFOODJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2/c22-21(23,24)14-9-17-16(25-11-14)5-6-18(26-17)27-8-7-20(10-19(27)28)15-4-2-1-3-13(15)12-29-20/h1-6,9,11H,7-8,10,12H2.
What are the key properties of 1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one?
1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one has a molecular weight of 399.37 g/mol, XLogP of 4.20, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[7-(trifluoromethyl)-1,5-naphthyridin-2-yl]spiro[1H-2-benzofuran-3,4'-piperidine]-2'-one is sourced from PubChem (CID 67362393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).