1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one

C22H15F3N2O5 — CID 71103473

IUPAC1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one
SMILESO=C1CC2(COc3cc4c(cc32)OCO4)c2ncccc2N1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C22H15F3N2O5/c23-22(24,25)18-4-3-12(32-18)9-27-14-2-1-5-26-20(14)21(8-19(27)28)10-29-15-7-17-16(6-13(15)21)30-11-31-17/h1-7H,8-11H2
InChIKeyRFJYEVSPZYZPQD-UHFFFAOYSA-N
MW444.37 g/mol
LogP4.04
Rot. Bonds2

About 1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one

1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one (PubChem CID 71103473) has the molecular formula C22H15F3N2O5 and a molecular weight of 444.37 g/mol. Its IUPAC name is 1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one.

Molecular Properties

Compound Name1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one
PubChem CID71103473
Molecular FormulaC22H15F3N2O5
Molecular Weight444.37 g/mol
Exact Mass444.09
IUPAC Name1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one
SMILESO=C1CC2(COc3cc4c(cc32)OCO4)c2ncccc2N1Cc1ccc(C(F)(F)F)o1
InChIInChI=1S/C22H15F3N2O5/c23-22(24,25)18-4-3-12(32-18)9-27-14-2-1-5-26-20(14)21(8-19(27)28)10-29-15-7-17-16(6-13(15)21)30-11-31-17/h1-7H,8-11H2
InChIKeyRFJYEVSPZYZPQD-UHFFFAOYSA-N
XLogP4.04
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one?
The IUPAC name of 1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one (CID 71103473) is 1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one.
What is the SMILES notation for 1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one?
The canonical SMILES for 1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one is O=C1CC2(COc3cc4c(cc32)OCO4)c2ncccc2N1Cc1ccc(C(F)(F)F)o1.
What is the InChIKey of 1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one?
The InChIKey is RFJYEVSPZYZPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O5/c23-22(24,25)18-4-3-12(32-18)9-27-14-2-1-5-26-20(14)21(8-19(27)28)10-29-15-7-17-16(6-13(15)21)30-11-31-17/h1-7H,8-11H2.
What are the key properties of 1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one?
1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one has a molecular weight of 444.37 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(trifluoromethyl)furan-2-yl]methyl]spiro[3H-1,5-naphthyridine-4,7'-6H-furo[2,3-f][1,3]benzodioxole]-2-one is sourced from PubChem (CID 71103473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).