About 4-[[1-[(2R)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-tert-butyl-4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]cyclohexane-1-carboxamide;tert-butyl N-methyl-N-[3-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]propyl]carbamate;4-[(1-cyclopropylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-phenylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione
4-[[1-[(2R)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-tert-butyl-4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]cyclohexane-1-carboxamide;tert-butyl N-methyl-N-[3-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]propyl]carbamate;4-[(1-cyclopropylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-phenylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione (PubChem CID 158024102) has the molecular formula C164H178F3N37O24
and a molecular weight of 3108.46 g/mol. Its IUPAC name is 4-[[1-[(2R)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-tert-butyl-4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]cyclohexane-1-carboxamide;tert-butyl N-methyl-N-[3-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]propyl]carbamate;4-[(1-cyclopropylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-phenylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione.
Frequently Asked Questions
What is the IUPAC name of 4-[[1-[(2R)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-tert-butyl-4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]cyclohexane-1-carboxamide;tert-butyl N-methyl-N-[3-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]propyl]carbamate;4-[(1-cyclopropylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-phenylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The IUPAC name of 4-[[1-[(2R)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-tert-butyl-4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]cyclohexane-1-carboxamide;tert-butyl N-methyl-N-[3-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]propyl]carbamate;4-[(1-cyclopropylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-phenylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione (CID 158024102) is 4-[[1-[(2R)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-tert-butyl-4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]cyclohexane-1-carboxamide;tert-butyl N-methyl-N-[3-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]propyl]carbamate;4-[(1-cyclopropylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-phenylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione.
What is the SMILES notation for 4-[[1-[(2R)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-tert-butyl-4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]cyclohexane-1-carboxamide;tert-butyl N-methyl-N-[3-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]propyl]carbamate;4-[(1-cyclopropylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-phenylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The canonical SMILES for 4-[[1-[(2R)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-tert-butyl-4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]cyclohexane-1-carboxamide;tert-butyl N-methyl-N-[3-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]propyl]carbamate;4-[(1-cyclopropylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-phenylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione is C=C1CCC(N2C(=O)c3cccc(NCc4cnn(-c5ccccc5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C(C)C)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(C5CCC(C(=O)NC(C)(C)C)CC5)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(CC(F)(F)F)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn(CCCN(C)C(=O)OC(C)(C)C)c4)c3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3cccc(NCc4cnn([C@H](C)CC)c4)c3C2=O)C(=O)N1.
What is the InChIKey of 4-[[1-[(2R)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-tert-butyl-4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]cyclohexane-1-carboxamide;tert-butyl N-methyl-N-[3-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]propyl]carbamate;4-[(1-cyclopropylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-phenylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?
The InChIKey is FGKFQVDIHVFDJD-FKBGACNLSA-N. The full InChI is InChI=1S/C29H36N6O4.C27H34N6O5.C24H21N5O3.C22H25N5O3.C21H21N5O3.C21H23N5O3.C20H18F3N5O3/c1-17-8-13-23(26(37)32-17)35-27(38)21-6-5-7-22(24(21)28(35)39)30-14-18-15-31-34(16-18)20-11-9-19(10-12-20)25(36)33-29(2,3)4;1-17-10-11-21(23(34)30-17)33-24(35)19-8-6-9-20(22(19)25(33)36)28-14-18-15-29-32(16-18)13-7-12-31(5)26(37)38-27(2,3)4;1-15-10-11-20(22(30)27-15)29-23(31)18-8-5-9-19(21(18)24(29)32)25-12-16-13-26-28(14-16)17-6-3-2-4-7-17;1-4-14(3)26-12-15(11-24-26)10-23-17-7-5-6-16-19(17)22(30)27(21(16)29)18-9-8-13(2)25-20(18)28;1-12-5-8-17(19(27)24-12)26-20(28)15-3-2-4-16(18(15)21(26)29)22-9-13-10-23-25(11-13)14-6-7-14;1-12(2)25-11-14(10-23-25)9-22-16-6-4-5-15-18(16)21(29)26(20(15)28)17-8-7-13(3)24-19(17)27;1-11-5-6-15(17(29)26-11)28-18(30)13-3-2-4-14(16(13)19(28)31)24-7-12-8-25-27(9-12)10-20(21,22)23/h5-7,15-16,19-20,23,30H,1,8-14H2,2-4H3,(H,32,37)(H,33,36);6,8-9,15-16,21,28H,1,7,10-14H2,2-5H3,(H,30,34);2-9,13-14,20,25H,1,10-12H2,(H,27,30);5-7,11-12,14,18,23H,2,4,8-10H2,1,3H3,(H,25,28);2-4,10-11,14,17,22H,1,5-9H2,(H,24,27);4-6,10-12,17,22H,3,7-9H2,1-2H3,(H,24,27);2-4,8-9,15,24H,1,5-7,10H2,(H,26,29)/t;;;14-,18?;;;/m...1.../s1.
What are the key properties of 4-[[1-[(2R)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-tert-butyl-4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]cyclohexane-1-carboxamide;tert-butyl N-methyl-N-[3-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]propyl]carbamate;4-[(1-cyclopropylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-phenylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione?
4-[[1-[(2R)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-tert-butyl-4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]cyclohexane-1-carboxamide;tert-butyl N-methyl-N-[3-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]propyl]carbamate;4-[(1-cyclopropylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-phenylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione has a molecular weight of 3108.46 g/mol, XLogP of 19.53, 40 rotatable bonds, 15 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2R)-butan-2-yl]pyrazol-4-yl]methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;N-tert-butyl-4-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]cyclohexane-1-carboxamide;tert-butyl N-methyl-N-[3-[4-[[[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]methyl]pyrazol-1-yl]propyl]carbamate;4-[(1-cyclopropylpyrazol-4-yl)methylamino]-2-(6-methylidene-2-oxopiperidin-3-yl)isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-phenylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[(1-propan-2-ylpyrazol-4-yl)methylamino]isoindole-1,3-dione;2-(6-methylidene-2-oxopiperidin-3-yl)-4-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methylamino]isoindole-1,3-dione is sourced from PubChem (CID 158024102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).