5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one

C34H32F2N4O3 — CID 167641188

About 5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one

5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one (PubChem CID 167641188) has the molecular formula C34H32F2N4O3 and a molecular weight of 582.65 g/mol. Its IUPAC name is 5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one.

Molecular Properties

• Compound Name: 5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one
• PubChem CID: 167641188
• Molecular Formula: C34H32F2N4O3
• Molecular Weight: 582.65 g/mol
• Exact Mass: 582.24
• IUPAC Name: 5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one
• SMILES: Cc1cc2nccc(Oc3ccc(CC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1N(C)C
• InChI: InChI=1S/C34H32F2N4O3/c1-19(2)40-18-25(33(42)31(21(40)4)23-8-10-24(35)11-9-23)28(41)17-22-7-12-29(26(36)16-22)43-30-13-14-37-27-15-20(3)34(39(5)6)38-32(27)30/h7-16,18-19H,17H2,1-6H3
• InChIKey: PEKHQBWRXBODMR-UHFFFAOYSA-N
• XLogP: 7.22
• TPSA: 77.32 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	582.65
LogP ≤ 5	7.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one?

The IUPAC name of 5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one (CID 167641188) is 5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one.

What is the SMILES notation for 5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one?

The canonical SMILES for 5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one is Cc1cc2nccc(Oc3ccc(CC(=O)c4cn(C(C)C)c(C)c(-c5ccc(F)cc5)c4=O)cc3F)c2nc1N(C)C.

What is the InChIKey of 5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one?

The InChIKey is PEKHQBWRXBODMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32F2N4O3/c1-19(2)40-18-25(33(42)31(21(40)4)23-8-10-24(35)11-9-23)28(41)17-22-7-12-29(26(36)16-22)43-30-13-14-37-27-15-20(3)34(39(5)6)38-32(27)30/h7-16,18-19H,17H2,1-6H3.

What are the key properties of 5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one?

5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one has a molecular weight of 582.65 g/mol, XLogP of 7.22, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[[6-(dimethylamino)-7-methyl-1,5-naphthyridin-4-yl]oxy]-3-fluorophenyl]acetyl]-3-(4-fluorophenyl)-2-methyl-1-propan-2-ylpyridin-4-one is sourced from PubChem (CID 167641188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).