8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one

C26H18F2IN5O2 — CID 71511128

About 8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one

8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one (PubChem CID 71511128) has the molecular formula C26H18F2IN5O2 and a molecular weight of 597.36 g/mol. Its IUPAC name is 8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one.

Molecular Properties

• Compound Name: 8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one
• PubChem CID: 71511128
• Molecular Formula: C26H18F2IN5O2
• Molecular Weight: 597.36 g/mol
• Exact Mass: 597.05
• IUPAC Name: 8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one
• SMILES: Cc1cc2ccnc(Nc3ccc(Oc4ccnc(N)c4I)c(F)c3)c2c(=O)n1-c1ccc(F)cc1
• InChI: InChI=1S/C26H18F2IN5O2/c1-14-12-15-8-10-32-25(22(15)26(35)34(14)18-5-2-16(27)3-6-18)33-17-4-7-20(19(28)13-17)36-21-9-11-31-24(30)23(21)29/h2-13H,1H3,(H2,30,31)(H,32,33)
• InChIKey: YPAMIZOFVIMUOZ-UHFFFAOYSA-N
• XLogP: 6.09
• TPSA: 95.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.36
LogP ≤ 5	6.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one?

The IUPAC name of 8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one (CID 71511128) is 8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one.

What is the SMILES notation for 8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one?

The canonical SMILES for 8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one is Cc1cc2ccnc(Nc3ccc(Oc4ccnc(N)c4I)c(F)c3)c2c(=O)n1-c1ccc(F)cc1.

What is the InChIKey of 8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one?

The InChIKey is YPAMIZOFVIMUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F2IN5O2/c1-14-12-15-8-10-32-25(22(15)26(35)34(14)18-5-2-16(27)3-6-18)33-17-4-7-20(19(28)13-17)36-21-9-11-31-24(30)23(21)29/h2-13H,1H3,(H2,30,31)(H,32,33).

What are the key properties of 8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one?

8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one has a molecular weight of 597.36 g/mol, XLogP of 6.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-[(2-amino-3-iodo-4-pyridinyl)oxy]-3-fluoroanilino]-2-(4-fluorophenyl)-3-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 71511128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).