4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione

C148H174F3N23O23 — CID 165003783

About 4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione

4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione (PubChem CID 165003783) has the molecular formula C148H174F3N23O23 and a molecular weight of 2700.15 g/mol. Its IUPAC name is 4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione
• PubChem CID: 165003783
• Molecular Formula: C148H174F3N23O23
• Molecular Weight: 2700.15 g/mol
• Exact Mass: 2698.31
• IUPAC Name: 4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione
• SMILES: COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CCCC(=O)NCCN1CCC(c2ccc(CC3CCC(=O)NC3=O)cc2F)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CCCC(=O)NCCN1CCC(c2ccc(C[C@@H]3CCC(=O)NC3=O)cc2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CCCCN1CCC(c2ccc(NC3CCC(=O)CC3=O)cc2)CC1.COc1cc(-c2cn(C)c(=O)c3c2cnn3C)cc(OC)c1CNCC(=O)N1CCC(c2ccc(CC3CCC(=O)NC3=O)cc2)C(F)(F)C1
• InChI: InChI=1S/C38H45FN6O6.C38H46N6O6.C36H40F2N6O6.C36H43N5O5/c1-44-22-30(29-21-41-43-36(29)38(44)49)26-19-32(50-2)28(33(20-26)51-3)5-4-6-34(46)40-13-16-45-14-11-24(12-15-45)27-9-7-23(18-31(27)39)17-25-8-10-35(47)42-37(25)48;1-43-23-31(30-22-40-42-36(30)38(43)48)28-20-32(49-2)29(33(21-28)50-3)5-4-6-34(45)39-15-18-44-16-13-26(14-17-44)25-9-7-24(8-10-25)19-27-11-12-35(46)41-37(27)47;1-42-19-27(25-17-40-43(2)33(25)35(42)48)24-14-29(49-3)26(30(15-24)50-4)16-39-18-32(46)44-12-11-28(36(37,38)20-44)22-7-5-21(6-8-22)13-23-9-10-31(45)41-34(23)47;1-40-22-30(29-21-37-39-35(29)36(40)44)25-18-33(45-2)28(34(19-25)46-3)6-4-5-15-41-16-13-24(14-17-41)23-7-9-26(10-8-23)38-31-12-11-27(42)20-32(31)43/h7,9,18-22,24-25H,4-6,8,10-17H2,1-3H3,(H,40,46)(H,41,43)(H,42,47,48);7-10,20-23,26-27H,4-6,11-19H2,1-3H3,(H,39,45)(H,40,42)(H,41,46,47);5-8,14-15,17,19,23,28,39H,9-13,16,18,20H2,1-4H3,(H,41,45,47);7-10,18-19,21-22,24,31,38H,4-6,11-17,20H2,1-3H3,(H,37,39)/t;27-;;/m.0../s1
• InChIKey: IQPOISWZKFREEW-ZTDGIXASSA-N
• XLogP: 16.40
• TPSA: 550.64 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 47
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2700.15
LogP ≤ 5	16.40
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione?

The IUPAC name of 4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione (CID 165003783) is 4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione.

What is the SMILES notation for 4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione?

The canonical SMILES for 4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione is COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CCCC(=O)NCCN1CCC(c2ccc(CC3CCC(=O)NC3=O)cc2F)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CCCC(=O)NCCN1CCC(c2ccc(C[C@@H]3CCC(=O)NC3=O)cc2)CC1.COc1cc(-c2cn(C)c(=O)c3[nH]ncc23)cc(OC)c1CCCCN1CCC(c2ccc(NC3CCC(=O)CC3=O)cc2)CC1.COc1cc(-c2cn(C)c(=O)c3c2cnn3C)cc(OC)c1CNCC(=O)N1CCC(c2ccc(CC3CCC(=O)NC3=O)cc2)C(F)(F)C1.

What is the InChIKey of 4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione?

The InChIKey is IQPOISWZKFREEW-ZTDGIXASSA-N. The full InChI is InChI=1S/C38H45FN6O6.C38H46N6O6.C36H40F2N6O6.C36H43N5O5/c1-44-22-30(29-21-41-43-36(29)38(44)49)26-19-32(50-2)28(33(20-26)51-3)5-4-6-34(46)40-13-16-45-14-11-24(12-15-45)27-9-7-23(18-31(27)39)17-25-8-10-35(47)42-37(25)48;1-43-23-31(30-22-40-42-36(30)38(43)48)28-20-32(49-2)29(33(21-28)50-3)5-4-6-34(45)39-15-18-44-16-13-26(14-17-44)25-9-7-24(8-10-25)19-27-11-12-35(46)41-37(27)47;1-42-19-27(25-17-40-43(2)33(25)35(42)48)24-14-29(49-3)26(30(15-24)50-4)16-39-18-32(46)44-12-11-28(36(37,38)20-44)22-7-5-21(6-8-22)13-23-9-10-31(45)41-34(23)47;1-40-22-30(29-21-37-39-35(29)36(40)44)25-18-33(45-2)28(34(19-25)46-3)6-4-5-15-41-16-13-24(14-17-41)23-7-9-26(10-8-23)38-31-12-11-27(42)20-32(31)43/h7,9,18-22,24-25H,4-6,8,10-17H2,1-3H3,(H,40,46)(H,41,43)(H,42,47,48);7-10,20-23,26-27H,4-6,11-19H2,1-3H3,(H,39,45)(H,40,42)(H,41,46,47);5-8,14-15,17,19,23,28,39H,9-13,16,18,20H2,1-4H3,(H,41,45,47);7-10,18-19,21-22,24,31,38H,4-6,11-17,20H2,1-3H3,(H,37,39)/t;27-;;/m.0../s1.

What are the key properties of 4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione?

4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione has a molecular weight of 2700.15 g/mol, XLogP of 16.40, 47 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[1-[4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]butyl]piperidin-4-yl]anilino]cyclohexane-1,3-dione;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[(2,6-dioxopiperidin-3-yl)methyl]-2-fluorophenyl]piperidin-1-yl]ethyl]butanamide;4-[2,6-dimethoxy-4-(6-methyl-7-oxo-1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-N-[2-[4-[4-[[(3S)-2,6-dioxopiperidin-3-yl]methyl]phenyl]piperidin-1-yl]ethyl]butanamide;3-[[4-[1-[2-[[4-(1,6-dimethyl-7-oxopyrazolo[5,4-c]pyridin-4-yl)-2,6-dimethoxyphenyl]methylamino]acetyl]-3,3-difluoropiperidin-4-yl]phenyl]methyl]piperidine-2,6-dione is sourced from PubChem (CID 165003783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).