5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one

C30H23F2N3O5 — CID 167620727

About 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one

5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one (PubChem CID 167620727) has the molecular formula C30H23F2N3O5 and a molecular weight of 543.53 g/mol. Its IUPAC name is 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one.

Molecular Properties

• Compound Name: 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one
• PubChem CID: 167620727
• Molecular Formula: C30H23F2N3O5
• Molecular Weight: 543.53 g/mol
• Exact Mass: 543.16
• IUPAC Name: 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one
• SMILES: COc1cnc2c(Oc3ccc(CC(=O)c4c[nH]c(C)c(-c5ccc(OC)c(F)c5)c4=O)cc3F)ccnc2c1
• InChI: InChI=1S/C30H23F2N3O5/c1-16-28(18-5-7-25(39-3)22(32)12-18)30(37)20(15-34-16)24(36)11-17-4-6-26(21(31)10-17)40-27-8-9-33-23-13-19(38-2)14-35-29(23)27/h4-10,12-15H,11H2,1-3H3,(H,34,37)
• InChIKey: MKAPWBIAQNZBOD-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 103.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.53
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one?

The IUPAC name of 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one (CID 167620727) is 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one.

What is the SMILES notation for 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one?

The canonical SMILES for 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one is COc1cnc2c(Oc3ccc(CC(=O)c4c[nH]c(C)c(-c5ccc(OC)c(F)c5)c4=O)cc3F)ccnc2c1.

What is the InChIKey of 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one?

The InChIKey is MKAPWBIAQNZBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F2N3O5/c1-16-28(18-5-7-25(39-3)22(32)12-18)30(37)20(15-34-16)24(36)11-17-4-6-26(21(31)10-17)40-27-8-9-33-23-13-19(38-2)14-35-29(23)27/h4-10,12-15H,11H2,1-3H3,(H,34,37).

What are the key properties of 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one?

5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one has a molecular weight of 543.53 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[3-fluoro-4-[(7-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-3-(3-fluoro-4-methoxyphenyl)-2-methyl-1H-pyridin-4-one is sourced from PubChem (CID 167620727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).