5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine

C26H24F4N4O4 — CID 144764126

About 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine

5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine (PubChem CID 144764126) has the molecular formula C26H24F4N4O4 and a molecular weight of 532.49 g/mol. Its IUPAC name is 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine.

Molecular Properties

• Compound Name: 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine
• PubChem CID: 144764126
• Molecular Formula: C26H24F4N4O4
• Molecular Weight: 532.49 g/mol
• Exact Mass: 532.17
• IUPAC Name: 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine
• SMILES: CN.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1.O=CNc1cc(F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C17H14N2O3.C8H5F4NO.CH5N/c20-16-4-2-10-14(5-6-18-17(10)19-16)21-9-1-3-13-11(7-9)12-8-15(12)22-13;9-6-1-5(8(10,11)12)2-7(3-6)13-4-14;1-2/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);1-4H,(H,13,14);2H2,1H3
• InChIKey: CVKQRMVSFYLKAV-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 115.57 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.49
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine?

The IUPAC name of 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine (CID 144764126) is 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine.

What is the SMILES notation for 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine?

The canonical SMILES for 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine is CN.O=C1CCc2c(Oc3ccc4c(c3)C3CC3O4)ccnc2N1.O=CNc1cc(F)cc(C(F)(F)F)c1.

What is the InChIKey of 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine?

The InChIKey is CVKQRMVSFYLKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O3.C8H5F4NO.CH5N/c20-16-4-2-10-14(5-6-18-17(10)19-16)21-9-1-3-13-11(7-9)12-8-15(12)22-13;9-6-1-5(8(10,11)12)2-7(3-6)13-4-14;1-2/h1,3,5-7,12,15H,2,4,8H2,(H,18,19,20);1-4H,(H,13,14);2H2,1H3.

What are the key properties of 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine?

5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine has a molecular weight of 532.49 g/mol, XLogP of 4.99, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yloxy)-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-[3-fluoro-5-(trifluoromethyl)phenyl]formamide;methanamine is sourced from PubChem (CID 144764126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).