About 3-bromopiperidine-2,6-dione;tert-butyl (4S)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4R)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4S)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl (4R)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;3-[6-[[1-[(4S)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[(4R)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;dihydrochloride
3-bromopiperidine-2,6-dione;tert-butyl (4S)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4R)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4S)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl (4R)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;3-[6-[[1-[(4S)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[(4R)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;dihydrochloride (PubChem CID 167690905) has the molecular formula C171H178BrCl2F12N29O25
and a molecular weight of 3418.27 g/mol. Its IUPAC name is 3-bromopiperidine-2,6-dione;tert-butyl (4S)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4R)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4S)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl (4R)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;3-[6-[[1-[(4S)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[(4R)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;dihydrochloride.
Frequently Asked Questions
What is the IUPAC name of 3-bromopiperidine-2,6-dione;tert-butyl (4S)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4R)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4S)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl (4R)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;3-[6-[[1-[(4S)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[(4R)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;dihydrochloride?
The IUPAC name of 3-bromopiperidine-2,6-dione;tert-butyl (4S)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4R)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4S)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl (4R)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;3-[6-[[1-[(4S)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[(4R)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;dihydrochloride (CID 167690905) is 3-bromopiperidine-2,6-dione;tert-butyl (4S)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4R)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4S)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl (4R)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;3-[6-[[1-[(4S)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[(4R)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;dihydrochloride.
What is the SMILES notation for 3-bromopiperidine-2,6-dione;tert-butyl (4S)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4R)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4S)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl (4R)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;3-[6-[[1-[(4S)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[(4R)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;dihydrochloride?
The canonical SMILES for 3-bromopiperidine-2,6-dione;tert-butyl (4S)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4R)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4S)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl (4R)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;3-[6-[[1-[(4S)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[(4R)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;dihydrochloride is CC(C)(C)OC(=O)N1CC[C@@H](n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)C(F)(F)C1.CC(C)(C)OC(=O)N1CC[C@@H](n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)C(F)(F)C1.CC(C)(C)OC(=O)N1CC[C@H](n2cc(Cc3ccc4c5c(cccc35)C(=O)N4)cn2)C(F)(F)C1.CC(C)(C)OC(=O)N1CC[C@H](n2cc(Cc3ccc4c5c(cccc35)C(=O)N4C3CCC(=O)NC3=O)cn2)C(F)(F)C1.CC1(C=O)CCC1.Cl.Cl.O=C1CCC(Br)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn([C@@H]6CCNCC6(F)F)c5)ccc2c34)C(=O)N1.O=C1CCC(N2C(=O)c3cccc4c(Cc5cnn([C@H]6CCNCC6(F)F)c5)ccc2c34)C(=O)N1.
What is the InChIKey of 3-bromopiperidine-2,6-dione;tert-butyl (4S)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4R)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4S)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl (4R)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;3-[6-[[1-[(4S)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[(4R)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;dihydrochloride?
The InChIKey is IPKWFMMQBQOQEE-ZRWCZMKSSA-N. The full InChI is InChI=1S/2C30H31F2N5O5.2C25H23F2N5O3.2C25H26F2N4O3.C6H10O.C5H6BrNO2.2ClH/c2*1-29(2,3)42-28(41)35-12-11-23(30(31,32)16-35)36-15-17(14-33-36)13-18-7-8-21-25-19(18)5-4-6-20(25)27(40)37(21)22-9-10-24(38)34-26(22)39;2*26-25(27)13-28-9-8-20(25)31-12-14(11-29-31)10-15-4-5-18-22-16(15)2-1-3-17(22)24(35)32(18)19-6-7-21(33)30-23(19)34;2*1-24(2,3)34-23(33)30-10-9-20(25(26,27)14-30)31-13-15(12-28-31)11-16-7-8-19-21-17(16)5-4-6-18(21)22(32)29-19;1-6(5-7)3-2-4-6;6-3-1-2-4(8)7-5(3)9;;/h2*4-8,14-15,22-23H,9-13,16H2,1-3H3,(H,34,38,39);2*1-5,11-12,19-20,28H,6-10,13H2,(H,30,33,34);2*4-8,12-13,20H,9-11,14H2,1-3H3,(H,29,32);5H,2-4H2,1H3;3H,1-2H2,(H,7,8,9);2*1H/t2*22?,23-;2*19?,20-;2*20-;;;;/m101010..../s1.
What are the key properties of 3-bromopiperidine-2,6-dione;tert-butyl (4S)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4R)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4S)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl (4R)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;3-[6-[[1-[(4S)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[(4R)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;dihydrochloride?
3-bromopiperidine-2,6-dione;tert-butyl (4S)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4R)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4S)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl (4R)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;3-[6-[[1-[(4S)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[(4R)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;dihydrochloride has a molecular weight of 3418.27 g/mol, XLogP of 25.97, 23 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopiperidine-2,6-dione;tert-butyl (4S)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4R)-3,3-difluoro-4-[4-[(2-oxo-1H-benzo[cd]indol-6-yl)methyl]pyrazol-1-yl]piperidine-1-carboxylate;tert-butyl (4S)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;tert-butyl (4R)-4-[4-[[1-(2,6-dioxopiperidin-3-yl)-2-oxobenzo[cd]indol-6-yl]methyl]pyrazol-1-yl]-3,3-difluoropiperidine-1-carboxylate;3-[6-[[1-[(4S)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;3-[6-[[1-[(4R)-3,3-difluoropiperidin-4-yl]pyrazol-4-yl]methyl]-2-oxobenzo[cd]indol-1-yl]piperidine-2,6-dione;1-methylcyclobutane-1-carbaldehyde;dihydrochloride is sourced from PubChem (CID 167690905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).