4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile

C241H258F3N39O22 — CID 165074563

IUPAC4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile
SMILESC=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(CCOCCOCCOc6ccc(Cn7c(C)c(C#N)c(-c8ccc(C#N)cc8)c7C)cc6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(CCOc6ccc(Cn7c(C)c(C#N)c(-c8ccc(C#N)cc8)c7C)cc6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ccc(Cn7c(C)c(C#N)c(-c8ccc(C#N)cc8)c7C)cc6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCCN(CC)CCCOc5ccc(Cn6c(C)c(C#N)c(-c7ccc(C#N)cc7)c6C)cc5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OC4CC(N(CC5CCN(c6ccc(CCn7c(=O)n(-c8ccc(C#N)c(C(F)(F)F)c8)c8ccccc87)cc6)CC5)C(C)C)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C51H58N8O6.C50H50F3N7O5.C48H54N8O4.C47H50N8O4.C45H46N8O3/c1-35-4-15-47(49(60)54-35)59-50(61)44-14-11-42(30-45(44)51(59)62)57-22-20-56(21-23-57)33-40-16-18-55(19-17-40)24-25-63-26-27-64-28-29-65-43-12-7-39(8-13-43)34-58-36(2)46(32-53)48(37(58)3)41-9-5-38(31-52)6-10-41;1-30(2)58(37-24-39(25-37)65-38-15-16-40-41(27-38)48(63)60(47(40)62)45-17-8-31(3)55-46(45)61)29-33-18-21-56(22-19-33)35-12-9-32(10-13-35)20-23-57-43-6-4-5-7-44(43)59(49(57)64)36-14-11-34(28-54)42(26-36)50(51,52)53;1-5-52(23-8-28-60-40-17-12-37(13-18-40)32-55-34(3)43(31-50)45(35(55)4)38-14-10-36(30-49)11-15-38)21-6-7-22-53-24-26-54(27-25-53)39-16-19-41-42(29-39)48(59)56(47(41)58)44-20-9-33(2)51-46(44)57;1-31-4-15-43(45(56)50-31)55-46(57)40-14-11-38(26-41(40)47(55)58)53-22-20-52(21-23-53)29-36-16-18-51(19-17-36)24-25-59-39-12-7-35(8-13-39)30-54-32(2)42(28-49)44(33(54)3)37-9-5-34(27-48)6-10-37;1-29-4-15-41(43(54)48-29)53-44(55)38-14-13-37(24-39(38)45(53)56)51-22-20-49(21-23-51)27-34-16-18-50(19-17-34)36-11-7-33(8-12-36)28-52-30(2)40(26-47)42(31(52)3)35-9-5-32(25-46)6-10-35/h5-14,30,40,47H,1,4,15-29,33-34H2,2-3H3,(H,54,60);4-7,9-16,26-27,30,33,37,39,45H,3,8,17-25,29H2,1-2H3,(H,55,61);10-19,29,44H,2,5-9,20-28,32H2,1,3-4H3,(H,51,57);5-14,26,36,43H,1,4,15-25,29-30H2,2-3H3,(H,50,56);5-14,24,34,41H,1,4,15-23,27-28H2,2-3H3,(H,48,54)
InChIKeyUCAZCFWXVIUCPU-UHFFFAOYSA-N
MW4109.96 g/mol
LogP32.25
Rot. Bonds64

About 4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile

4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile (PubChem CID 165074563) has the molecular formula C241H258F3N39O22 and a molecular weight of 4109.96 g/mol. Its IUPAC name is 4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile
PubChem CID165074563
Molecular FormulaC241H258F3N39O22
Molecular Weight4109.96 g/mol
Exact Mass4107.02
IUPAC Name4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile
SMILESC=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(CCOCCOCCOc6ccc(Cn7c(C)c(C#N)c(-c8ccc(C#N)cc8)c7C)cc6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(CCOc6ccc(Cn7c(C)c(C#N)c(-c8ccc(C#N)cc8)c7C)cc6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ccc(Cn7c(C)c(C#N)c(-c8ccc(C#N)cc8)c7C)cc6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCCN(CC)CCCOc5ccc(Cn6c(C)c(C#N)c(-c7ccc(C#N)cc7)c6C)cc5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OC4CC(N(CC5CCN(c6ccc(CCn7c(=O)n(-c8ccc(C#N)c(C(F)(F)F)c8)c8ccccc87)cc6)CC5)C(C)C)C4)cc3C2=O)C(=O)N1
InChIInChI=1S/C51H58N8O6.C50H50F3N7O5.C48H54N8O4.C47H50N8O4.C45H46N8O3/c1-35-4-15-47(49(60)54-35)59-50(61)44-14-11-42(30-45(44)51(59)62)57-22-20-56(21-23-57)33-40-16-18-55(19-17-40)24-25-63-26-27-64-28-29-65-43-12-7-39(8-13-43)34-58-36(2)46(32-53)48(37(58)3)41-9-5-38(31-52)6-10-41;1-30(2)58(37-24-39(25-37)65-38-15-16-40-41(27-38)48(63)60(47(40)62)45-17-8-31(3)55-46(45)61)29-33-18-21-56(22-19-33)35-12-9-32(10-13-35)20-23-57-43-6-4-5-7-44(43)59(49(57)64)36-14-11-34(28-54)42(26-36)50(51,52)53;1-5-52(23-8-28-60-40-17-12-37(13-18-40)32-55-34(3)43(31-50)45(35(55)4)38-14-10-36(30-49)11-15-38)21-6-7-22-53-24-26-54(27-25-53)39-16-19-41-42(29-39)48(59)56(47(41)58)44-20-9-33(2)51-46(44)57;1-31-4-15-43(45(56)50-31)55-46(57)40-14-11-38(26-41(40)47(55)58)53-22-20-52(21-23-53)29-36-16-18-51(19-17-36)24-25-59-39-12-7-35(8-13-39)30-54-32(2)42(28-49)44(33(54)3)37-9-5-34(27-48)6-10-37;1-29-4-15-41(43(54)48-29)53-44(55)38-14-13-37(24-39(38)45(53)56)51-22-20-49(21-23-51)27-34-16-18-50(19-17-34)36-11-7-33(8-12-36)28-52-30(2)40(26-47)42(31(52)3)35-9-5-32(25-46)6-10-35/h5-14,30,40,47H,1,4,15-29,33-34H2,2-3H3,(H,54,60);4-7,9-16,26-27,30,33,37,39,45H,3,8,17-25,29H2,1-2H3,(H,55,61);10-19,29,44H,2,5-9,20-28,32H2,1,3-4H3,(H,51,57);5-14,26,36,43H,1,4,15-25,29-30H2,2-3H3,(H,50,56);5-14,24,34,41H,1,4,15-23,27-28H2,2-3H3,(H,48,54)
InChIKeyUCAZCFWXVIUCPU-UHFFFAOYSA-N
XLogP32.25
TPSA693.90 Ų
H-Bond Donors5
H-Bond Acceptors51
Rotatable Bonds64
Heavy Atoms305
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004109.96
LogP ≤ 532.25
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1051

Analyze 4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile with MolForge

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Related Compounds

CID 155449598
CID 155449598
CID 158023611
CID 158023611
CID 164948980
CID 164948980
CID 165022329
CID 165022329
CID 165091394
CID 165091394
CID 167547687
CID 167547687
CID 167555261
CID 167555261
CID 167558654
CID 167558654
CID 167561460
CID 167561460
CID 167572136
CID 167572136
CID 167591160
CID 167591160
CID 167614574
CID 167614574

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile (CID 165074563) is 4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile is C=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(CCOCCOCCOc6ccc(Cn7c(C)c(C#N)c(-c8ccc(C#N)cc8)c7C)cc6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(CCOc6ccc(Cn7c(C)c(C#N)c(-c8ccc(C#N)cc8)c7C)cc6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CC5CCN(c6ccc(Cn7c(C)c(C#N)c(-c8ccc(C#N)cc8)c7C)cc6)CC5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(N4CCN(CCCCN(CC)CCCOc5ccc(Cn6c(C)c(C#N)c(-c7ccc(C#N)cc7)c6C)cc5)CC4)cc3C2=O)C(=O)N1.C=C1CCC(N2C(=O)c3ccc(OC4CC(N(CC5CCN(c6ccc(CCn7c(=O)n(-c8ccc(C#N)c(C(F)(F)F)c8)c8ccccc87)cc6)CC5)C(C)C)C4)cc3C2=O)C(=O)N1.
What is the InChIKey of 4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile?
The InChIKey is UCAZCFWXVIUCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H58N8O6.C50H50F3N7O5.C48H54N8O4.C47H50N8O4.C45H46N8O3/c1-35-4-15-47(49(60)54-35)59-50(61)44-14-11-42(30-45(44)51(59)62)57-22-20-56(21-23-57)33-40-16-18-55(19-17-40)24-25-63-26-27-64-28-29-65-43-12-7-39(8-13-43)34-58-36(2)46(32-53)48(37(58)3)41-9-5-38(31-52)6-10-41;1-30(2)58(37-24-39(25-37)65-38-15-16-40-41(27-38)48(63)60(47(40)62)45-17-8-31(3)55-46(45)61)29-33-18-21-56(22-19-33)35-12-9-32(10-13-35)20-23-57-43-6-4-5-7-44(43)59(49(57)64)36-14-11-34(28-54)42(26-36)50(51,52)53;1-5-52(23-8-28-60-40-17-12-37(13-18-40)32-55-34(3)43(31-50)45(35(55)4)38-14-10-36(30-49)11-15-38)21-6-7-22-53-24-26-54(27-25-53)39-16-19-41-42(29-39)48(59)56(47(41)58)44-20-9-33(2)51-46(44)57;1-31-4-15-43(45(56)50-31)55-46(57)40-14-11-38(26-41(40)47(55)58)53-22-20-52(21-23-53)29-36-16-18-51(19-17-36)24-25-59-39-12-7-35(8-13-39)30-54-32(2)42(28-49)44(33(54)3)37-9-5-34(27-48)6-10-37;1-29-4-15-41(43(54)48-29)53-44(55)38-14-13-37(24-39(38)45(53)56)51-22-20-49(21-23-51)27-34-16-18-50(19-17-34)36-11-7-33(8-12-36)28-52-30(2)40(26-47)42(31(52)3)35-9-5-32(25-46)6-10-35/h5-14,30,40,47H,1,4,15-29,33-34H2,2-3H3,(H,54,60);4-7,9-16,26-27,30,33,37,39,45H,3,8,17-25,29H2,1-2H3,(H,55,61);10-19,29,44H,2,5-9,20-28,32H2,1,3-4H3,(H,51,57);5-14,26,36,43H,1,4,15-25,29-30H2,2-3H3,(H,50,56);5-14,24,34,41H,1,4,15-23,27-28H2,2-3H3,(H,48,54).
What are the key properties of 4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile?
4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile has a molecular weight of 4109.96 g/mol, XLogP of 32.25, 64 rotatable bonds, 5 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[2-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]ethoxy]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[2-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]ethoxy]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-2,5-dimethyl-1-[[4-[4-[[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]methyl]piperidin-1-yl]phenyl]methyl]pyrrole-3-carbonitrile;4-(4-cyanophenyl)-1-[[4-[3-[ethyl-[4-[4-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]butyl]amino]propoxy]phenyl]methyl]-2,5-dimethylpyrrole-3-carbonitrile;4-[3-[2-[4-[4-[[[3-[2-(6-methylidene-2-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxycyclobutyl]-propan-2-ylamino]methyl]piperidin-1-yl]phenyl]ethyl]-2-oxobenzimidazol-1-yl]-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 165074563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).