4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one

C25H23F8N7O3 — CID 169119127

About 4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one

4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one (PubChem CID 169119127) has the molecular formula C25H23F8N7O3 and a molecular weight of 621.49 g/mol. Its IUPAC name is 4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one.

Molecular Properties

• Compound Name: 4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one
• PubChem CID: 169119127
• Molecular Formula: C25H23F8N7O3
• Molecular Weight: 621.49 g/mol
• Exact Mass: 621.17
• IUPAC Name: 4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one
• SMILES: Nc1cn[nH]c(=O)c1C(F)(F)F.Nc1nc(-c2ccc3c(=O)n(CCCCCOC(F)F)ccc3n2)ccc1C(F)(F)F
• InChI: InChI=1S/C20H19F5N4O2.C5H4F3N3O/c21-19(22)31-11-3-1-2-9-29-10-8-14-12(18(29)30)4-6-15(27-14)16-7-5-13(17(26)28-16)20(23,24)25;6-5(7,8)3-2(9)1-10-11-4(3)12/h4-8,10,19H,1-3,9,11H2,(H2,26,28);1H,(H3,9,11,12)
• InChIKey: NFWOPKAARIVGMR-UHFFFAOYSA-N
• XLogP: 4.84
• TPSA: 154.80 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	621.49
LogP ≤ 5	4.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one?

The IUPAC name of 4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one (CID 169119127) is 4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one.

What is the SMILES notation for 4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one?

The canonical SMILES for 4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one is Nc1cn[nH]c(=O)c1C(F)(F)F.Nc1nc(-c2ccc3c(=O)n(CCCCCOC(F)F)ccc3n2)ccc1C(F)(F)F.

What is the InChIKey of 4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one?

The InChIKey is NFWOPKAARIVGMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N4O2.C5H4F3N3O/c21-19(22)31-11-3-1-2-9-29-10-8-14-12(18(29)30)4-6-15(27-14)16-7-5-13(17(26)28-16)20(23,24)25;6-5(7,8)3-2(9)1-10-11-4(3)12/h4-8,10,19H,1-3,9,11H2,(H2,26,28);1H,(H3,9,11,12).

What are the key properties of 4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one?

4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one has a molecular weight of 621.49 g/mol, XLogP of 4.84, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-5-(trifluoromethyl)-1H-pyridazin-6-one;2-[6-amino-5-(trifluoromethyl)-2-pyridinyl]-6-[5-(difluoromethoxy)pentyl]-1,6-naphthyridin-5-one is sourced from PubChem (CID 169119127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).