4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione

C158H191F4N23O25 — CID 164965154

About 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione

4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione (PubChem CID 164965154) has the molecular formula C158H191F4N23O25 and a molecular weight of 2888.39 g/mol. Its IUPAC name is 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione
• PubChem CID: 164965154
• Molecular Formula: C158H191F4N23O25
• Molecular Weight: 2888.39 g/mol
• Exact Mass: 2886.43
• IUPAC Name: 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CCCC(=O)NCCCCCCCCN1CCC(c2ccc(CC3CCC(=O)NC3=O)c(F)c2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CCCC(=O)NCCCCCCCCN1CCN(c2ccc(OC3CCC(=O)NC3=O)cc2)CC1.COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CNCC(=O)N1CCC(c2ccc(CC3CCC(=O)NC3=O)cc2)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CNCC(=O)N1CCC(c2ccc(CC3CCC(=O)NC3=O)cc2F)CC1
• InChI: InChI=1S/C44H57FN6O6.C42H55N7O7.C36H39F2N5O6.C36H40FN5O6/c1-50-28-36(35-27-47-49-42(35)44(50)55)33-25-38(56-2)34(39(26-33)57-3)11-10-12-40(52)46-19-8-6-4-5-7-9-20-51-21-17-29(18-22-51)30-13-14-31(37(45)24-30)23-32-15-16-41(53)48-43(32)54;1-47-28-34(33-27-44-46-40(33)42(47)53)29-25-36(54-2)32(37(26-29)55-3)11-10-12-38(50)43-19-8-6-4-5-7-9-20-48-21-23-49(24-22-48)30-13-15-31(16-14-30)56-35-17-18-39(51)45-41(35)52;1-42-19-28(25-15-39-16-26(25)35(42)47)24-13-30(48-2)27(31(14-24)49-3)17-40-18-33(45)43-11-10-29(36(37,38)20-43)22-6-4-21(5-7-22)12-23-8-9-32(44)41-34(23)46;1-41-20-29(26-16-38-17-27(26)36(41)46)24-14-31(47-2)28(32(15-24)48-3)18-39-19-34(44)42-10-8-22(9-11-42)25-6-4-21(13-30(25)37)12-23-5-7-33(43)40-35(23)45/h13-14,24-29,32H,4-12,15-23H2,1-3H3,(H,46,52)(H,47,49)(H,48,53,54);13-16,25-28,35H,4-12,17-24H2,1-3H3,(H,43,50)(H,44,46)(H,45,51,52);4-7,13-15,19,23,29,40H,8-12,16-18,20H2,1-3H3,(H,41,44,46);4,6,13-16,20,22-23,39H,5,7-12,17-19H2,1-3H3,(H,40,43,45)
• InChIKey: CJQUYRPIZVPFEV-UHFFFAOYSA-N
• XLogP: 17.64
• TPSA: 570.43 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 58
• Heavy Atoms: 210
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2888.39
LogP ≤ 5	17.64
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione?

The IUPAC name of 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione (CID 164965154) is 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione.

What is the SMILES notation for 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione?

The canonical SMILES for 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CCCC(=O)NCCCCCCCCN1CCC(c2ccc(CC3CCC(=O)NC3=O)c(F)c2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CCCC(=O)NCCCCCCCCN1CCN(c2ccc(OC3CCC(=O)NC3=O)cc2)CC1.COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CNCC(=O)N1CCC(c2ccc(CC3CCC(=O)NC3=O)cc2)C(F)(F)C1.COc1cc(-c2cn(C)c(=O)c3c2C=NC3)cc(OC)c1CNCC(=O)N1CCC(c2ccc(CC3CCC(=O)NC3=O)cc2F)CC1.

What is the InChIKey of 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione?

The InChIKey is CJQUYRPIZVPFEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H57FN6O6.C42H55N7O7.C36H39F2N5O6.C36H40FN5O6/c1-50-28-36(35-27-47-49-42(35)44(50)55)33-25-38(56-2)34(39(26-33)57-3)11-10-12-40(52)46-19-8-6-4-5-7-9-20-51-21-17-29(18-22-51)30-13-14-31(37(45)24-30)23-32-15-16-41(53)48-43(32)54;1-47-28-34(33-27-44-46-40(33)42(47)53)29-25-36(54-2)32(37(26-29)55-3)11-10-12-38(50)43-19-8-6-4-5-7-9-20-48-21-23-49(24-22-48)30-13-15-31(16-14-30)56-35-17-18-39(51)45-41(35)52;1-42-19-28(25-15-39-16-26(25)35(42)47)24-13-30(48-2)27(31(14-24)49-3)17-40-18-33(45)43-11-10-29(36(37,38)20-43)22-6-4-21(5-7-22)12-23-8-9-32(44)41-34(23)46;1-41-20-29(26-16-38-17-27(26)36(41)46)24-14-31(47-2)28(32(15-24)48-3)18-39-19-34(44)42-10-8-22(9-11-42)25-6-4-21(13-30(25)37)12-23-5-7-33(43)40-35(23)45/h13-14,24-29,32H,4-12,15-23H2,1-3H3,(H,46,52)(H,47,49)(H,48,53,54);13-16,25-28,35H,4-12,17-24H2,1-3H3,(H,43,50)(H,44,46)(H,45,51,52);4-7,13-15,19,23,29,40H,8-12,16-18,20H2,1-3H3,(H,41,44,46);4,6,13-16,20,22-23,39H,5,7-12,17-19H2,1-3H3,(H,40,43,45).

What are the key properties of 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione?

4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione has a molecular weight of 2888.39 g/mol, XLogP of 17.64, 58 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-3-fluorophenyl]piperidin-1-yl]octyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[8-[4-[4-(2,6-dioxopiperidin-3-yl)oxyphenyl]piperazin-1-yl]octyl]butanamide;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione;3-[[4-[1-[2-[[2,6-dimethoxy-4-(5-methyl-4-oxo-3H-pyrrolo[3,4-c]pyridin-7-yl)phenyl]methylamino]acetyl]piperidin-4-yl]-3-fluorophenyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 164965154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).