5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one

C32H28FN3O5 — CID 167673807

About 5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one

5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one (PubChem CID 167673807) has the molecular formula C32H28FN3O5 and a molecular weight of 553.59 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one.

Molecular Properties

• Compound Name: 5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one
• PubChem CID: 167673807
• Molecular Formula: C32H28FN3O5
• Molecular Weight: 553.59 g/mol
• Exact Mass: 553.20
• IUPAC Name: 5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one
• SMILES: COCc1[nH]c(C)c(-c2ccc(F)cc2C)c(=O)c1C(=O)Cc1ccc(Oc2ccnc3ccc(OC)nc23)cc1
• InChI: InChI=1S/C32H28FN3O5/c1-18-15-21(33)7-10-23(18)29-19(2)35-25(17-39-3)30(32(29)38)26(37)16-20-5-8-22(9-6-20)41-27-13-14-34-24-11-12-28(40-4)36-31(24)27/h5-15H,16-17H2,1-4H3,(H,35,38)
• InChIKey: UNGFNOOKEPRYNM-UHFFFAOYSA-N
• XLogP: 6.11
• TPSA: 103.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.59
LogP ≤ 5	6.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one?

The IUPAC name of 5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one (CID 167673807) is 5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one.

What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one?

The canonical SMILES for 5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one is COCc1[nH]c(C)c(-c2ccc(F)cc2C)c(=O)c1C(=O)Cc1ccc(Oc2ccnc3ccc(OC)nc23)cc1.

What is the InChIKey of 5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one?

The InChIKey is UNGFNOOKEPRYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28FN3O5/c1-18-15-21(33)7-10-23(18)29-19(2)35-25(17-39-3)30(32(29)38)26(37)16-20-5-8-22(9-6-20)41-27-13-14-34-24-11-12-28(40-4)36-31(24)27/h5-15H,16-17H2,1-4H3,(H,35,38).

What are the key properties of 5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one?

5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one has a molecular weight of 553.59 g/mol, XLogP of 6.11, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-fluoro-2-methylphenyl)-2-(methoxymethyl)-3-[2-[4-[(6-methoxy-1,5-naphthyridin-4-yl)oxy]phenyl]acetyl]-6-methyl-1H-pyridin-4-one is sourced from PubChem (CID 167673807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).