8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one

C26H24F3N5O2 — CID 66887978

About 8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one

8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one (PubChem CID 66887978) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is 8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
• PubChem CID: 66887978
• Molecular Formula: C26H24F3N5O2
• Molecular Weight: 495.51 g/mol
• Exact Mass: 495.19
• IUPAC Name: 8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one
• SMILES: O=c1[nH]ccc2cc(Nc3cccc(OC(F)(F)F)c3)nc(Nc3ccc(C4CCNCC4)cc3)c12
• InChI: InChI=1S/C26H24F3N5O2/c27-26(28,29)36-21-3-1-2-20(15-21)32-22-14-18-10-13-31-25(35)23(18)24(34-22)33-19-6-4-16(5-7-19)17-8-11-30-12-9-17/h1-7,10,13-15,17,30H,8-9,11-12H2,(H,31,35)(H2,32,33,34)
• InChIKey: MGHSTSKSLXBSSV-UHFFFAOYSA-N
• XLogP: 5.78
• TPSA: 91.07 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	495.51
LogP ≤ 5	5.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?

The IUPAC name of 8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one (CID 66887978) is 8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one.

What is the SMILES notation for 8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?

The canonical SMILES for 8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one is O=c1[nH]ccc2cc(Nc3cccc(OC(F)(F)F)c3)nc(Nc3ccc(C4CCNCC4)cc3)c12.

What is the InChIKey of 8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?

The InChIKey is MGHSTSKSLXBSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c27-26(28,29)36-21-3-1-2-20(15-21)32-22-14-18-10-13-31-25(35)23(18)24(34-22)33-19-6-4-16(5-7-19)17-8-11-30-12-9-17/h1-7,10,13-15,17,30H,8-9,11-12H2,(H,31,35)(H2,32,33,34).

What are the key properties of 8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one?

8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one has a molecular weight of 495.51 g/mol, XLogP of 5.78, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-piperidin-4-ylanilino)-6-[3-(trifluoromethoxy)anilino]-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66887978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).