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

C33H30FN3O5 — CID 167575888

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

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-ethyl-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one (PubChem CID 167575888) has the molecular formula C33H30FN3O5 and a molecular weight of 567.62 g/mol. Its IUPAC name is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-ethyl-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one.

Molecular Properties

• Compound Name: 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-ethyl-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one
• PubChem CID: 167575888
• Molecular Formula: C33H30FN3O5
• Molecular Weight: 567.62 g/mol
• Exact Mass: 567.22
• IUPAC Name: 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-ethyl-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one
• SMILES: CCc1c(C)c(C(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)cc2)c(=O)n(-c2ccc(F)cc2)c1C
• InChI: InChI=1S/C33H30FN3O5/c1-6-25-19(2)30(33(39)37(20(25)3)23-11-9-22(34)10-12-23)27(38)17-21-7-13-24(14-8-21)42-28-15-16-35-26-18-29(40-4)32(41-5)36-31(26)28/h7-16,18H,6,17H2,1-5H3
• InChIKey: GNFRZFBXLKIDLF-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 92.54 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	567.62
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-ethyl-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one (CID 167575888) is 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-ethyl-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one.

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

The canonical SMILES for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-ethyl-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one is CCc1c(C)c(C(=O)Cc2ccc(Oc3ccnc4cc(OC)c(OC)nc34)cc2)c(=O)n(-c2ccc(F)cc2)c1C.

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

The InChIKey is GNFRZFBXLKIDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30FN3O5/c1-6-25-19(2)30(33(39)37(20(25)3)23-11-9-22(34)10-12-23)27(38)17-21-7-13-24(14-8-21)42-28-15-16-35-26-18-29(40-4)32(41-5)36-31(26)28/h7-16,18H,6,17H2,1-5H3.

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

3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-ethyl-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one has a molecular weight of 567.62 g/mol, XLogP of 6.33, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[(6,7-dimethoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-5-ethyl-1-(4-fluorophenyl)-4,6-dimethylpyridin-2-one is sourced from PubChem (CID 167575888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).