3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione

C156H179F9N26O21 — CID 165064742

About 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione

3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione (PubChem CID 165064742) has the molecular formula C156H179F9N26O21 and a molecular weight of 2925.29 g/mol. Its IUPAC name is 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione
• PubChem CID: 165064742
• Molecular Formula: C156H179F9N26O21
• Molecular Weight: 2925.29 g/mol
• Exact Mass: 2923.36
• IUPAC Name: 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CC1CCN(C(=O)CC2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1.Cc1c(-c2ccc(CN3CCC(N(C)C(=O)N4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)c(OC(F)(F)F)c2)cn(C)c(=O)c1C.Cn1cc(-c2ccc(CN3CCN(C(=O)CC4CCN(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)c(OC(F)(F)F)c2)c2cn[nH]c2c1=O.Cn1cc(-c2ccc(CN3CCN(C(=O)CN4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)c(OC(F)(F)F)c2)c2ccccc2c1=O
• InChI: InChI=1S/C40H43F3N6O5.C40H48N6O6.C39H47F3N6O5.C37H41F3N8O5/c1-46-24-33(31-4-2-3-5-32(31)39(46)53)28-6-7-29(35(22-28)54-40(41,42)43)23-48-18-20-49(21-19-48)37(51)25-47-16-14-27(15-17-47)26-8-10-30(11-9-26)44-34-12-13-36(50)45-38(34)52;1-44-24-33(31-22-41-23-32(31)40(44)50)27-20-35(51-2)30(36(21-27)52-3)18-25-12-16-46(17-13-25)38(48)19-26-10-14-45(15-11-26)29-6-4-28(5-7-29)42-34-8-9-37(47)43-39(34)49;1-24-25(2)37(51)45(3)23-32(24)28-5-6-29(34(21-28)53-39(40,41)42)22-47-17-15-31(16-18-47)46(4)38(52)48-19-13-27(14-20-48)26-7-9-30(10-8-26)43-33-11-12-35(49)44-36(33)50;1-45-22-29(28-20-41-44-34(28)36(45)52)24-2-3-25(31(19-24)53-37(38,39)40)21-46-14-16-48(17-15-46)33(50)18-23-10-12-47(13-11-23)27-6-4-26(5-7-27)42-30-8-9-32(49)43-35(30)51/h2-11,22,24,27,34,44H,12-21,23,25H2,1H3,(H,45,50,52);4-7,20-22,24-26,34,42H,8-19,23H2,1-3H3,(H,43,47,49);5-10,21,23,27,31,33,43H,11-20,22H2,1-4H3,(H,44,49,50);2-7,19-20,22-23,30,42H,8-18,21H2,1H3,(H,41,44)(H,43,49,51)
• InChIKey: RTYJDHSREITLNZ-UHFFFAOYSA-N
• XLogP: 18.83
• TPSA: 511.91 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 212
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2925.29
LogP ≤ 5	18.83
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione?

The IUPAC name of 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione (CID 165064742) is 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione.

What is the SMILES notation for 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione?

The canonical SMILES for 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CC1CCN(C(=O)CC2CCN(c3ccc(NC4CCC(=O)NC4=O)cc3)CC2)CC1.Cc1c(-c2ccc(CN3CCC(N(C)C(=O)N4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)c(OC(F)(F)F)c2)cn(C)c(=O)c1C.Cn1cc(-c2ccc(CN3CCN(C(=O)CC4CCN(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)c(OC(F)(F)F)c2)c2cn[nH]c2c1=O.Cn1cc(-c2ccc(CN3CCN(C(=O)CN4CCC(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)CC3)c(OC(F)(F)F)c2)c2ccccc2c1=O.

What is the InChIKey of 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione?

The InChIKey is RTYJDHSREITLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43F3N6O5.C40H48N6O6.C39H47F3N6O5.C37H41F3N8O5/c1-46-24-33(31-4-2-3-5-32(31)39(46)53)28-6-7-29(35(22-28)54-40(41,42)43)23-48-18-20-49(21-19-48)37(51)25-47-16-14-27(15-17-47)26-8-10-30(11-9-26)44-34-12-13-36(50)45-38(34)52;1-44-24-33(31-22-41-23-32(31)40(44)50)27-20-35(51-2)30(36(21-27)52-3)18-25-12-16-46(17-13-25)38(48)19-26-10-14-45(15-11-26)29-6-4-28(5-7-29)42-34-8-9-37(47)43-39(34)49;1-24-25(2)37(51)45(3)23-32(24)28-5-6-29(34(21-28)53-39(40,41)42)22-47-17-15-31(16-18-47)46(4)38(52)48-19-13-27(14-20-48)26-7-9-30(10-8-26)43-33-11-12-35(49)44-36(33)50;1-45-22-29(28-20-41-44-34(28)36(45)52)24-2-3-25(31(19-24)53-37(38,39)40)21-46-14-16-48(17-15-46)33(50)18-23-10-12-47(13-11-23)27-6-4-26(5-7-27)42-30-8-9-32(49)43-35(30)51/h2-11,22,24,27,34,44H,12-21,23,25H2,1H3,(H,45,50,52);4-7,20-22,24-26,34,42H,8-19,23H2,1-3H3,(H,43,47,49);5-10,21,23,27,31,33,43H,11-20,22H2,1-4H3,(H,44,49,50);2-7,19-20,22-23,30,42H,8-18,21H2,1H3,(H,41,44)(H,43,49,51).

What are the key properties of 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione?

3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione has a molecular weight of 2925.29 g/mol, XLogP of 18.83, 36 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-[2-[4-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methyl]piperidin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione;4-[4-[(2,6-dioxopiperidin-3-yl)amino]phenyl]-N-methyl-N-[1-[[2-(trifluoromethoxy)-4-(1,4,5-trimethyl-6-oxo-3-pyridinyl)phenyl]methyl]piperidin-4-yl]piperidine-1-carboxamide;3-[4-[1-[2-[4-[[4-(2-methyl-1-oxoisoquinolin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-4-yl]anilino]piperidine-2,6-dione;3-[4-[4-[2-[4-[[4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)-2-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-yl]anilino]piperidine-2,6-dione is sourced from PubChem (CID 165064742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).