3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one

C32H28F2N4O4 — CID 167614648

About 3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one

3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one (PubChem CID 167614648) has the molecular formula C32H28F2N4O4 and a molecular weight of 570.60 g/mol. Its IUPAC name is 3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one.

Molecular Properties

• Compound Name: 3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one
• PubChem CID: 167614648
• Molecular Formula: C32H28F2N4O4
• Molecular Weight: 570.60 g/mol
• Exact Mass: 570.21
• IUPAC Name: 3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one
• SMILES: Cc1ccc(C(=O)Cc2ccc(Oc3ccnc4ccc(OCCN(C)C)nc34)c(F)c2)c(=O)n1-c1ccc(F)cc1
• InChI: InChI=1S/C32H28F2N4O4/c1-20-4-10-24(32(40)38(20)23-8-6-22(33)7-9-23)27(39)19-21-5-12-28(25(34)18-21)42-29-14-15-35-26-11-13-30(36-31(26)29)41-17-16-37(2)3/h4-15,18H,16-17,19H2,1-3H3
• InChIKey: LOJVBUHQFAIUFK-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 86.55 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.60
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one?

The IUPAC name of 3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one (CID 167614648) is 3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one.

What is the SMILES notation for 3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one?

The canonical SMILES for 3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one is Cc1ccc(C(=O)Cc2ccc(Oc3ccnc4ccc(OCCN(C)C)nc34)c(F)c2)c(=O)n1-c1ccc(F)cc1.

What is the InChIKey of 3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one?

The InChIKey is LOJVBUHQFAIUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28F2N4O4/c1-20-4-10-24(32(40)38(20)23-8-6-22(33)7-9-23)27(39)19-21-5-12-28(25(34)18-21)42-29-14-15-35-26-11-13-30(36-31(26)29)41-17-16-37(2)3/h4-15,18H,16-17,19H2,1-3H3.

What are the key properties of 3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one?

3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one has a molecular weight of 570.60 g/mol, XLogP of 5.53, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[4-[[6-[2-(dimethylamino)ethoxy]-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-1-(4-fluorophenyl)-6-methylpyridin-2-one is sourced from PubChem (CID 167614648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).