2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C325H321Cl3F7N47O35 — CID 167668782

About 2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 167668782) has the molecular formula C325H321Cl3F7N47O35 and a molecular weight of 5684.78 g/mol. Its IUPAC name is 2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• PubChem CID: 167668782
• Molecular Formula: C325H321Cl3F7N47O35
• Molecular Weight: 5684.78 g/mol
• Exact Mass: 5679.37
• IUPAC Name: 2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
• SMILES: Cc1ccc(-c2c(C)noc2C)cc1N(CCCCNc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2=O)c1ccc(C#N)c(Cl)c1.Cc1ccc(-c2c(C)noc2C)cc1N(CCCCNc1cc2c(cc1F)CN(C1CCC(=O)NC1=O)C2=O)c1ccc(C#N)c(Cl)c1.Cc1ccc(-c2c(C)noc2C)cc1N(CCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)c1ccc(C#N)c(Cl)c1.[C-]#[N+]C1(c2ccc(N(CC3CCC(Cc4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CC3CCC(Cc4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CC3CCC(Cc4cc5c(cc4F)CN(C4CCC(=O)NC4=O)C5=O)CC3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CC3CCN(C4CN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6)C4)CC3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CC3CCN(C4CN(c5cc6c(cc5F)CN(C5CCC(=O)NC5=O)C6=O)C4)CC3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1
• InChI: InChI=1S/2C44H46FN7O4.C43H42FN5O5.2C43H44FN5O4.C36H32ClFN6O5.C36H34ClFN6O4.C36H33ClN6O5/c1-26-5-6-30(41-27(2)48-56-28(41)3)20-38(26)51(33-9-7-32(8-10-33)44(46-4)15-16-44)22-29-13-17-49(18-14-29)34-24-50(25-34)39-21-35-31(19-36(39)45)23-52(43(35)55)37-11-12-40(53)47-42(37)54;1-26-5-6-30(41-27(2)48-56-28(41)3)19-38(26)51(33-9-7-32(8-10-33)44(46-4)15-16-44)22-29-13-17-49(18-14-29)34-24-50(25-34)39-20-31-23-52(43(55)35(31)21-36(39)45)37-11-12-40(53)47-42(37)54;1-24-5-10-29(39-25(2)47-54-26(39)3)21-37(24)48(32-13-11-31(12-14-32)43(45-4)17-18-43)23-28-8-6-27(7-9-28)19-30-20-33-34(22-35(30)44)42(53)49(41(33)52)36-15-16-38(50)46-40(36)51;1-25-5-10-30(40-26(2)47-53-27(40)3)22-38(25)48(34-13-11-33(12-14-34)43(45-4)17-18-43)23-29-8-6-28(7-9-29)19-31-20-35-32(21-36(31)44)24-49(42(35)52)37-15-16-39(50)46-41(37)51;1-25-5-10-30(40-26(2)47-53-27(40)3)21-38(25)48(34-13-11-33(12-14-34)43(45-4)17-18-43)23-29-8-6-28(7-9-29)19-31-20-32-24-49(42(52)35(32)22-36(31)44)37-15-16-39(50)46-41(37)51;1-19-6-7-22(33-20(2)42-49-21(33)3)14-31(19)43(24-9-8-23(18-39)27(37)15-24)13-5-4-12-40-29-17-26-25(16-28(29)38)35(47)44(36(26)48)30-10-11-32(45)41-34(30)46;1-20-6-7-23(34-21(2)42-48-22(34)3)15-32(20)43(26-9-8-24(18-39)28(37)16-26)13-5-4-12-40-30-17-27-25(14-29(30)38)19-44(36(27)47)31-10-11-33(45)41-35(31)46;1-20-6-7-23(33-21(2)41-48-22(33)3)16-31(20)42(26-10-8-24(19-38)29(37)18-26)15-5-4-14-39-25-9-11-27-28(17-25)36(47)43(35(27)46)30-12-13-32(44)40-34(30)45/h2*5-10,19-21,29,34,37H,11-18,22-25H2,1-3H3,(H,47,53,54);5,10-14,20-22,27-28,36H,6-9,15-19,23H2,1-3H3,(H,46,50,51);2*5,10-14,20-22,28-29,37H,6-9,15-19,23-24H2,1-3H3,(H,46,50,51);6-9,14-17,30,40H,4-5,10-13H2,1-3H3,(H,41,45,46);6-9,14-17,31,40H,4-5,10-13,19H2,1-3H3,(H,41,45,46);6-11,16-18,30,39H,4-5,12-15H2,1-3H3,(H,40,44,45)
• InChIKey: TUGGEQBIEUHVSQ-UHFFFAOYSA-N
• XLogP: 57.36
• TPSA: 959.43 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 61
• Rotatable Bonds: 75
• Heavy Atoms: 417
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	5684.78
LogP ≤ 5	57.36
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	61

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The IUPAC name of 2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 167668782) is 2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

What is the SMILES notation for 2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The canonical SMILES for 2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Cc1ccc(-c2c(C)noc2C)cc1N(CCCCNc1cc2c(cc1F)C(=O)N(C1CCC(=O)NC1=O)C2=O)c1ccc(C#N)c(Cl)c1.Cc1ccc(-c2c(C)noc2C)cc1N(CCCCNc1cc2c(cc1F)CN(C1CCC(=O)NC1=O)C2=O)c1ccc(C#N)c(Cl)c1.Cc1ccc(-c2c(C)noc2C)cc1N(CCCCNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O)c1ccc(C#N)c(Cl)c1.[C-]#[N+]C1(c2ccc(N(CC3CCC(Cc4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5)CC3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CC3CCC(Cc4cc5c(cc4F)C(=O)N(C4CCC(=O)NC4=O)C5=O)CC3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CC3CCC(Cc4cc5c(cc4F)CN(C4CCC(=O)NC4=O)C5=O)CC3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CC3CCN(C4CN(c5cc6c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C6)C4)CC3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.[C-]#[N+]C1(c2ccc(N(CC3CCN(C4CN(c5cc6c(cc5F)CN(C5CCC(=O)NC5=O)C6=O)C4)CC3)c3cc(-c4c(C)noc4C)ccc3C)cc2)CC1.

What is the InChIKey of 2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

The InChIKey is TUGGEQBIEUHVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C44H46FN7O4.C43H42FN5O5.2C43H44FN5O4.C36H32ClFN6O5.C36H34ClFN6O4.C36H33ClN6O5/c1-26-5-6-30(41-27(2)48-56-28(41)3)20-38(26)51(33-9-7-32(8-10-33)44(46-4)15-16-44)22-29-13-17-49(18-14-29)34-24-50(25-34)39-21-35-31(19-36(39)45)23-52(43(35)55)37-11-12-40(53)47-42(37)54;1-26-5-6-30(41-27(2)48-56-28(41)3)19-38(26)51(33-9-7-32(8-10-33)44(46-4)15-16-44)22-29-13-17-49(18-14-29)34-24-50(25-34)39-20-31-23-52(43(55)35(31)21-36(39)45)37-11-12-40(53)47-42(37)54;1-24-5-10-29(39-25(2)47-54-26(39)3)21-37(24)48(32-13-11-31(12-14-32)43(45-4)17-18-43)23-28-8-6-27(7-9-28)19-30-20-33-34(22-35(30)44)42(53)49(41(33)52)36-15-16-38(50)46-40(36)51;1-25-5-10-30(40-26(2)47-53-27(40)3)22-38(25)48(34-13-11-33(12-14-34)43(45-4)17-18-43)23-29-8-6-28(7-9-29)19-31-20-35-32(21-36(31)44)24-49(42(35)52)37-15-16-39(50)46-41(37)51;1-25-5-10-30(40-26(2)47-53-27(40)3)21-38(25)48(34-13-11-33(12-14-34)43(45-4)17-18-43)23-29-8-6-28(7-9-29)19-31-20-32-24-49(42(52)35(32)22-36(31)44)37-15-16-39(50)46-41(37)51;1-19-6-7-22(33-20(2)42-49-21(33)3)14-31(19)43(24-9-8-23(18-39)27(37)15-24)13-5-4-12-40-29-17-26-25(16-28(29)38)35(47)44(36(26)48)30-10-11-32(45)41-34(30)46;1-20-6-7-23(34-21(2)42-48-22(34)3)15-32(20)43(26-9-8-24(18-39)28(37)16-26)13-5-4-12-40-30-17-27-25(14-29(30)38)19-44(36(27)47)31-10-11-33(45)41-35(31)46;1-20-6-7-23(33-21(2)41-48-22(33)3)16-31(20)42(26-10-8-24(19-38)29(37)18-26)15-5-4-14-39-25-9-11-27-28(17-25)36(47)43(35(27)46)30-12-13-32(44)40-34(30)45/h2*5-10,19-21,29,34,37H,11-18,22-25H2,1-3H3,(H,47,53,54);5,10-14,20-22,27-28,36H,6-9,15-19,23H2,1-3H3,(H,46,50,51);2*5,10-14,20-22,28-29,37H,6-9,15-19,23-24H2,1-3H3,(H,46,50,51);6-9,14-17,30,40H,4-5,10-13H2,1-3H3,(H,41,45,46);6-9,14-17,31,40H,4-5,10-13,19H2,1-3H3,(H,41,45,46);6-11,16-18,30,39H,4-5,12-15H2,1-3H3,(H,40,44,45).

What are the key properties of 2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?

2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 5684.78 g/mol, XLogP of 57.36, 75 rotatable bonds, 11 hydrogen bond donors, and 61 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;2-chloro-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-[[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-3-oxo-1H-isoindol-5-yl]amino]butyl]-2-methylanilino]benzonitrile;5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-2-(2,6-dioxopiperidin-3-yl)-6-fluoroisoindole-1,3-dione;3-[5-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]cyclohexyl]methyl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[5-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-6-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[6-[3-[4-[[N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-(1-isocyanocyclopropyl)anilino]methyl]piperidin-1-yl]azetidin-1-yl]-5-fluoro-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 167668782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).