1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione

C164H134F8N12O26 — CID 160633443

About 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione

1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione (PubChem CID 160633443) has the molecular formula C164H134F8N12O26 and a molecular weight of 2840.92 g/mol. Its IUPAC name is 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione.

Molecular Properties

• Compound Name: 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
• PubChem CID: 160633443
• Molecular Formula: C164H134F8N12O26
• Molecular Weight: 2840.92 g/mol
• Exact Mass: 2838.94
• IUPAC Name: 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
• SMILES: CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2occc2c1.COc1cccnc1C(=O)CCC(=O)c1c[nH]c2ccccc12.COc1cccnc1C(=O)CCC(=O)c1ccc2occc2c1.Cc1cccnc1C(=O)CCC(=O)c1c[nH]c2ccccc12.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ncccc1C(F)(F)F.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ncccc1F.O=C(CCC(=O)c1ccccc1CO)c1ccc2occc2c1.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccc2occc2c1.O=C(CCC(=O)c1ncccc1F)c1ccc2occc2c1
• InChI: InChI=1S/C21H21NO3.C19H16O4.C18H13F3N2O2.C18H12F3NO3.C18H16N2O3.C18H16N2O2.C18H15NO4.C17H13FN2O2.C17H12FNO3/c1-22(2)14-17-5-3-4-6-18(17)20(24)9-8-19(23)15-7-10-21-16(13-15)11-12-25-21;20-12-15-3-1-2-4-16(15)18(22)7-6-17(21)13-5-8-19-14(11-13)9-10-23-19;19-18(20,21)13-5-3-9-22-17(13)16(25)8-7-15(24)12-10-23-14-6-2-1-4-11(12)14;19-18(20,21)13-2-1-8-22-17(13)15(24)5-4-14(23)11-3-6-16-12(10-11)7-9-25-16;1-23-17-7-4-10-19-18(17)16(22)9-8-15(21)13-11-20-14-6-3-2-5-12(13)14;1-12-5-4-10-19-18(12)17(22)9-8-16(21)14-11-20-15-7-3-2-6-13(14)15;1-22-17-3-2-9-19-18(17)15(21)6-5-14(20)12-4-7-16-13(11-12)8-10-23-16;18-13-5-3-9-19-17(13)16(22)8-7-15(21)12-10-20-14-6-2-1-4-11(12)14;18-13-2-1-8-19-17(13)15(21)5-4-14(20)11-3-6-16-12(10-11)7-9-22-16/h3-7,10-13H,8-9,14H2,1-2H3;1-5,8-11,20H,6-7,12H2;1-6,9-10,23H,7-8H2;1-3,6-10H,4-5H2;2-7,10-11,20H,8-9H2,1H3;2-7,10-11,20H,8-9H2,1H3;2-4,7-11H,5-6H2,1H3;1-6,9-10,20H,7-8H2;1-3,6-10H,4-5H2
• InChIKey: RIFKUYVZXOCUCT-UHFFFAOYSA-N
• XLogP: 35.41
• TPSA: 568.28 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 34
• Rotatable Bonds: 50
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2840.92
LogP ≤ 5	35.41
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?

The IUPAC name of 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione (CID 160633443) is 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione.

What is the SMILES notation for 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?

The canonical SMILES for 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione is CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2occc2c1.COc1cccnc1C(=O)CCC(=O)c1c[nH]c2ccccc12.COc1cccnc1C(=O)CCC(=O)c1ccc2occc2c1.Cc1cccnc1C(=O)CCC(=O)c1c[nH]c2ccccc12.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ncccc1C(F)(F)F.O=C(CCC(=O)c1c[nH]c2ccccc12)c1ncccc1F.O=C(CCC(=O)c1ccccc1CO)c1ccc2occc2c1.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccc2occc2c1.O=C(CCC(=O)c1ncccc1F)c1ccc2occc2c1.

What is the InChIKey of 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?

The InChIKey is RIFKUYVZXOCUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3.C19H16O4.C18H13F3N2O2.C18H12F3NO3.C18H16N2O3.C18H16N2O2.C18H15NO4.C17H13FN2O2.C17H12FNO3/c1-22(2)14-17-5-3-4-6-18(17)20(24)9-8-19(23)15-7-10-21-16(13-15)11-12-25-21;20-12-15-3-1-2-4-16(15)18(22)7-6-17(21)13-5-8-19-14(11-13)9-10-23-19;19-18(20,21)13-5-3-9-22-17(13)16(25)8-7-15(24)12-10-23-14-6-2-1-4-11(12)14;19-18(20,21)13-2-1-8-22-17(13)15(24)5-4-14(23)11-3-6-16-12(10-11)7-9-25-16;1-23-17-7-4-10-19-18(17)16(22)9-8-15(21)13-11-20-14-6-3-2-5-12(13)14;1-12-5-4-10-19-18(12)17(22)9-8-16(21)14-11-20-15-7-3-2-6-13(14)15;1-22-17-3-2-9-19-18(17)15(21)6-5-14(20)12-4-7-16-13(11-12)8-10-23-16;18-13-5-3-9-19-17(13)16(22)8-7-15(21)12-10-20-14-6-2-1-4-11(12)14;18-13-2-1-8-19-17(13)15(21)5-4-14(20)11-3-6-16-12(10-11)7-9-22-16/h3-7,10-13H,8-9,14H2,1-2H3;1-5,8-11,20H,6-7,12H2;1-6,9-10,23H,7-8H2;1-3,6-10H,4-5H2;2-7,10-11,20H,8-9H2,1H3;2-7,10-11,20H,8-9H2,1H3;2-4,7-11H,5-6H2,1H3;1-6,9-10,20H,7-8H2;1-3,6-10H,4-5H2.

What are the key properties of 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione?

1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione has a molecular weight of 2840.92 g/mol, XLogP of 35.41, 50 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-benzofuran-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(1-benzofuran-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1-benzofuran-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(3-fluoro-2-pyridinyl)-4-(1H-indol-3-yl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(1H-indol-3-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione is sourced from PubChem (CID 160633443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).