3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one

C25H20F4N4O2 — CID 69413942

IUPAC3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one
SMILESO=c1c(-c2noc(Cc3ccccc3)n2)cn(Cc2ccc(C(F)(F)F)cc2F)c2c1CNCC2
InChIInChI=1S/C25H20F4N4O2/c26-20-11-17(25(27,28)29)7-6-16(20)13-33-14-19(23(34)18-12-30-9-8-21(18)33)24-31-22(35-32-24)10-15-4-2-1-3-5-15/h1-7,11,14,30H,8-10,12-13H2
InChIKeyQYVMXNXMCBRJCZ-UHFFFAOYSA-N
MW484.45 g/mol
LogP4.34
Rot. Bonds5

About 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one

3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one (PubChem CID 69413942) has the molecular formula C25H20F4N4O2 and a molecular weight of 484.45 g/mol. Its IUPAC name is 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one.

Molecular Properties

Compound Name3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one
PubChem CID69413942
Molecular FormulaC25H20F4N4O2
Molecular Weight484.45 g/mol
Exact Mass484.15
IUPAC Name3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one
SMILESO=c1c(-c2noc(Cc3ccccc3)n2)cn(Cc2ccc(C(F)(F)F)cc2F)c2c1CNCC2
InChIInChI=1S/C25H20F4N4O2/c26-20-11-17(25(27,28)29)7-6-16(20)13-33-14-19(23(34)18-12-30-9-8-21(18)33)24-31-22(35-32-24)10-15-4-2-1-3-5-15/h1-7,11,14,30H,8-10,12-13H2
InChIKeyQYVMXNXMCBRJCZ-UHFFFAOYSA-N
XLogP4.34
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one?
The IUPAC name of 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one (CID 69413942) is 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one.
What is the SMILES notation for 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one?
The canonical SMILES for 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one is O=c1c(-c2noc(Cc3ccccc3)n2)cn(Cc2ccc(C(F)(F)F)cc2F)c2c1CNCC2.
What is the InChIKey of 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one?
The InChIKey is QYVMXNXMCBRJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F4N4O2/c26-20-11-17(25(27,28)29)7-6-16(20)13-33-14-19(23(34)18-12-30-9-8-21(18)33)24-31-22(35-32-24)10-15-4-2-1-3-5-15/h1-7,11,14,30H,8-10,12-13H2.
What are the key properties of 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one?
3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one has a molecular weight of 484.45 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-5,6,7,8-tetrahydro-1,6-naphthyridin-4-one is sourced from PubChem (CID 69413942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).