About 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[5-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]pentyl]anilino]phenyl]cyclopropane-1-carbonitrile;5-[3-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione
1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[5-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]pentyl]anilino]phenyl]cyclopropane-1-carbonitrile;5-[3-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione (PubChem CID 167679983) has the molecular formula C170H173FN26O19
and a molecular weight of 2903.41 g/mol. Its IUPAC name is 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[5-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]pentyl]anilino]phenyl]cyclopropane-1-carbonitrile;5-[3-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione.
Frequently Asked Questions
What is the IUPAC name of 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[5-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]pentyl]anilino]phenyl]cyclopropane-1-carbonitrile;5-[3-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione?
The IUPAC name of 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[5-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]pentyl]anilino]phenyl]cyclopropane-1-carbonitrile;5-[3-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione (CID 167679983) is 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[5-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]pentyl]anilino]phenyl]cyclopropane-1-carbonitrile;5-[3-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione.
What is the SMILES notation for 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[5-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]pentyl]anilino]phenyl]cyclopropane-1-carbonitrile;5-[3-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione?
The canonical SMILES for 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[5-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]pentyl]anilino]phenyl]cyclopropane-1-carbonitrile;5-[3-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione is Cc1ccc(-c2c(C)noc2C)cc1N(CCCCCNc1ccc2c(c1)CN(C1CCC(=O)N(C)C1=O)C2=O)c1ccc(C2(C#N)CC2)cc1.[C-]#[N+]C1(c2ccc(N(CC3CCC(CNc4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CC3CN(C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CC3CN(C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)C3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.
What is the InChIKey of 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[5-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]pentyl]anilino]phenyl]cyclopropane-1-carbonitrile;5-[3-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione?
The InChIKey is VJSNJWWJJAGICO-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H45N7O5.C43H43FN6O5.C42H41N7O5.C41H44N6O4/c1-26-5-6-30(40-27(2)47-56-28(40)3)21-38(26)50(33-9-7-31(8-10-33)44(45-4)17-18-44)25-29-23-49(24-29)32-15-19-48(20-16-32)34-11-12-35-36(22-34)43(55)51(42(35)54)37-13-14-39(52)46-41(37)53;1-24-5-10-29(39-25(2)48-55-26(39)3)19-37(24)49(31-13-11-30(12-14-31)43(45-4)17-18-43)23-28-8-6-27(7-9-28)22-46-35-21-33-32(20-34(35)44)41(53)50(42(33)54)36-15-16-38(51)47-40(36)52;1-24-5-6-28(38-25(2)45-54-26(38)3)17-36(24)48(30-9-7-29(8-10-30)42(43-4)15-16-42)21-27-19-46(20-27)32-22-47(23-32)31-11-12-33-34(18-31)41(53)49(40(33)52)35-13-14-37(50)44-39(35)51;1-26-8-9-29(38-27(2)44-51-28(38)3)23-36(26)46(33-13-10-31(11-14-33)41(25-42)18-19-41)21-7-5-6-20-43-32-12-15-34-30(22-32)24-47(39(34)49)35-16-17-37(48)45(4)40(35)50/h5-12,21-22,29,32,37H,13-20,23-25H2,1-3H3,(H,46,52,53);5,10-14,19-21,27-28,36,46H,6-9,15-18,22-23H2,1-3H3,(H,47,51,52);5-12,17-18,27,32,35H,13-16,19-23H2,1-3H3,(H,44,50,51);8-15,22-23,35,43H,5-7,16-21,24H2,1-4H3.
What are the key properties of 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[5-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]pentyl]anilino]phenyl]cyclopropane-1-carbonitrile;5-[3-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione?
1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[5-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]pentyl]anilino]phenyl]cyclopropane-1-carbonitrile;5-[3-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione has a molecular weight of 2903.41 g/mol, XLogP of 26.97, 40 rotatable bonds, 5 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-[5-[[2-(1-methyl-2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]amino]pentyl]anilino]phenyl]cyclopropane-1-carbonitrile;5-[3-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]azetidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[4-[3-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]azetidin-1-yl]piperidin-1-yl]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione is sourced from PubChem (CID 167679983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).