About 1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione
1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione (PubChem CID 157193882) has the molecular formula C161H132F16N8O37
and a molecular weight of 3074.81 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione.
Frequently Asked Questions
What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione (CID 157193882) is 1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione is CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)OC(F)(F)O2.CN(C)Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)OCO2.COc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)OC(F)(F)O2.Cc1cccnc1C(=O)CCC(=O)c1ccc2[nH]ccc2c1.Cc1cccnc1C(=O)CCC(=O)c1ccc2c(c1)OC(F)(F)O2.O=C(CCC(=O)c1ccccc1CO)c1ccc2c(c1)OC(F)(F)O2.O=C(CCC(=O)c1ccccc1CO)c1ccc2c(c1)OCO2.O=C(CCC(=O)c1ncccc1C(F)(F)F)c1ccc2c(c1)OC(F)(F)O2.O=C(CCC(=O)c1ncccc1F)c1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione?
The InChIKey is AQABSZJTMFSUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2NO4.C20H21NO4.C18H14F2O5.C18H16N2O2.C18H16O5.C17H10F5NO4.C17H13F2NO5.C17H13F2NO4.C16H10F3NO4/c1-23(2)12-14-5-3-4-6-15(14)17(25)9-8-16(24)13-7-10-18-19(11-13)27-20(21,22)26-18;1-21(2)12-15-5-3-4-6-16(15)18(23)9-8-17(22)14-7-10-19-20(11-14)25-13-24-19;19-18(20)24-16-8-5-11(9-17(16)25-18)14(22)6-7-15(23)13-4-2-1-3-12(13)10-21;1-12-3-2-9-20-18(12)17(22)7-6-16(21)14-4-5-15-13(11-14)8-10-19-15;19-10-13-3-1-2-4-14(13)16(21)7-6-15(20)12-5-8-17-18(9-12)23-11-22-17;18-16(19,20)10-2-1-7-23-15(10)12(25)5-4-11(24)9-3-6-13-14(8-9)27-17(21,22)26-13;1-23-14-3-2-8-20-16(14)12(22)6-5-11(21)10-4-7-13-15(9-10)25-17(18,19)24-13;1-10-3-2-8-20-16(10)13(22)6-5-12(21)11-4-7-14-15(9-11)24-17(18,19)23-14;17-10-2-1-7-20-15(10)12(22)5-4-11(21)9-3-6-13-14(8-9)24-16(18,19)23-13/h3-7,10-11H,8-9,12H2,1-2H3;3-7,10-11H,8-9,12-13H2,1-2H3;1-5,8-9,21H,6-7,10H2;2-5,8-11,19H,6-7H2,1H3;1-5,8-9,19H,6-7,10-11H2;1-3,6-8H,4-5H2;2-4,7-9H,5-6H2,1H3;2-4,7-9H,5-6H2,1H3;1-3,6-8H,4-5H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione?
1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione has a molecular weight of 3074.81 g/mol, XLogP of 31.53, 52 rotatable bonds, 3 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-[(dimethylamino)methyl]phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-fluoro-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[2-(hydroxymethyl)phenyl]butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methoxy-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione;1-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione;1-(1H-indol-5-yl)-4-(3-methyl-2-pyridinyl)butane-1,4-dione is sourced from PubChem (CID 157193882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).