About 6-bromo-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanylbenzo[cd]indol-2-one;[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]boronic acid;1-[(4-methoxyphenyl)methyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione
6-bromo-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanylbenzo[cd]indol-2-one;[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]boronic acid;1-[(4-methoxyphenyl)methyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (PubChem CID 167611145) has the molecular formula C156H153B2Br2N17O21S3
and a molecular weight of 2879.67 g/mol. Its IUPAC name is 6-bromo-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanylbenzo[cd]indol-2-one;[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]boronic acid;1-[(4-methoxyphenyl)methyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.
Frequently Asked Questions
What is the IUPAC name of 6-bromo-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanylbenzo[cd]indol-2-one;[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]boronic acid;1-[(4-methoxyphenyl)methyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The IUPAC name of 6-bromo-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanylbenzo[cd]indol-2-one;[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]boronic acid;1-[(4-methoxyphenyl)methyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione (CID 167611145) is 6-bromo-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanylbenzo[cd]indol-2-one;[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]boronic acid;1-[(4-methoxyphenyl)methyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 6-bromo-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanylbenzo[cd]indol-2-one;[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]boronic acid;1-[(4-methoxyphenyl)methyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 6-bromo-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanylbenzo[cd]indol-2-one;[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]boronic acid;1-[(4-methoxyphenyl)methyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is CC1(C(=O)N2CCC(n3cc(Sc4ccc5c6c(cccc46)C(=O)N5)cn3)CC2)CCC1.CC1(C(=O)N2CCC(n3cc(Sc4ccc5c6c(cccc46)C(=O)N5C4CCC(=O)NC4=O)cn3)CC2)CCC1.COc1ccc(CN2C(=O)c3cccc4c(B(O)O)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(B5OC(C)(C)C(C)(C)O5)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Br)ccc2c34)cc1.COc1ccc(CN2C(=O)c3cccc4c(Sc5cnn(C6CCN(C(=O)C7(C)CCC7)CC6)c5)ccc2c34)cc1.O=C1CCC(Br)C(=O)N1.
What is the InChIKey of 6-bromo-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanylbenzo[cd]indol-2-one;[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]boronic acid;1-[(4-methoxyphenyl)methyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
The InChIKey is LBLZJHYVIVFREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34N4O3S.C30H31N5O4S.C25H26BNO4.C25H26N4O2S.C19H16BNO4.C19H14BrNO2.C5H6BrNO2/c1-33(15-4-16-33)32(39)35-17-13-23(14-18-35)37-21-25(19-34-37)41-29-12-11-28-30-26(29)5-3-6-27(30)31(38)36(28)20-22-7-9-24(40-2)10-8-22;1-30(12-3-13-30)29(39)33-14-10-18(11-15-33)34-17-19(16-31-34)40-24-8-6-22-26-20(24)4-2-5-21(26)28(38)35(22)23-7-9-25(36)32-27(23)37;1-24(2)25(3,4)31-26(30-24)20-13-14-21-22-18(20)7-6-8-19(22)23(28)27(21)15-16-9-11-17(29-5)12-10-16;1-25(10-3-11-25)24(31)28-12-8-16(9-13-28)29-15-17(14-26-29)32-21-7-6-20-22-18(21)4-2-5-19(22)23(30)27-20;1-25-13-7-5-12(6-8-13)11-21-17-10-9-16(20(23)24)14-3-2-4-15(18(14)17)19(21)22;1-23-13-7-5-12(6-8-13)11-21-17-10-9-16(20)14-3-2-4-15(18(14)17)19(21)22;6-3-1-2-4(8)7-5(3)9/h3,5-12,19,21,23H,4,13-18,20H2,1-2H3;2,4-6,8,16-18,23H,3,7,9-15H2,1H3,(H,32,36,37);6-14H,15H2,1-5H3;2,4-7,14-16H,3,8-13H2,1H3,(H,27,30);2-10,23-24H,11H2,1H3;2-10H,11H2,1H3;3H,1-2H2,(H,7,8,9).
What are the key properties of 6-bromo-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanylbenzo[cd]indol-2-one;[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]boronic acid;1-[(4-methoxyphenyl)methyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione?
6-bromo-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanylbenzo[cd]indol-2-one;[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]boronic acid;1-[(4-methoxyphenyl)methyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione has a molecular weight of 2879.67 g/mol, XLogP of 27.08, 27 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one;3-bromopiperidine-2,6-dione;1-[(4-methoxyphenyl)methyl]-6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanylbenzo[cd]indol-2-one;[1-[(4-methoxyphenyl)methyl]-2-oxobenzo[cd]indol-6-yl]boronic acid;1-[(4-methoxyphenyl)methyl]-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[cd]indol-2-one;6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-1H-benzo[cd]indol-2-one;3-[6-[1-[1-(1-methylcyclobutanecarbonyl)piperidin-4-yl]pyrazol-4-yl]sulfanyl-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 167611145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).