3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one

C33H25F2N5O5 — CID 167699902

About 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one (PubChem CID 167699902) has the molecular formula C33H25F2N5O5 and a molecular weight of 609.59 g/mol. Its IUPAC name is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one.

Molecular Properties

• Compound Name: 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one
• PubChem CID: 167699902
• Molecular Formula: C33H25F2N5O5
• Molecular Weight: 609.59 g/mol
• Exact Mass: 609.18
• IUPAC Name: 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one
• SMILES: COc1cc2nccc(Oc3ccc(CC(=O)c4cn(-c5ccn(C)n5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC
• InChI: InChI=1S/C33H25F2N5O5/c1-39-13-11-30(38-39)40-17-22(20-5-7-21(34)8-6-20)32(42)23(18-40)26(41)15-19-4-9-27(24(35)14-19)45-28-10-12-36-25-16-29(43-2)33(44-3)37-31(25)28/h4-14,16-18H,15H2,1-3H3
• InChIKey: YFJZPFBNWORZHK-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 110.36 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	609.59
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one?

The IUPAC name of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one (CID 167699902) is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one.

What is the SMILES notation for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one?

The canonical SMILES for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one is COc1cc2nccc(Oc3ccc(CC(=O)c4cn(-c5ccn(C)n5)cc(-c5ccc(F)cc5)c4=O)cc3F)c2nc1OC.

What is the InChIKey of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one?

The InChIKey is YFJZPFBNWORZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F2N5O5/c1-39-13-11-30(38-39)40-17-22(20-5-7-21(34)8-6-20)32(42)23(18-40)26(41)15-19-4-9-27(24(35)14-19)45-28-10-12-36-25-16-29(43-2)33(44-3)37-31(25)28/h4-14,16-18H,15H2,1-3H3.

What are the key properties of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one?

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one has a molecular weight of 609.59 g/mol, XLogP of 5.69, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]-3-fluorophenyl]acetyl]-5-(4-fluorophenyl)-1-(1-methylpyrazol-3-yl)pyridin-4-one is sourced from PubChem (CID 167699902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).