5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide

C51H52Cl2N10O10 — CID 171554675

About 5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide

5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide (PubChem CID 171554675) has the molecular formula C51H52Cl2N10O10 and a molecular weight of 1035.94 g/mol. Its IUPAC name is 5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide
• PubChem CID: 171554675
• Molecular Formula: C51H52Cl2N10O10
• Molecular Weight: 1035.94 g/mol
• Exact Mass: 1034.32
• IUPAC Name: 5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(C(=O)NCCCCN2CCC(NC(=O)COc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O
• InChI: InChI=1S/C51H52Cl2N10O10/c1-27(2)61-43-41(51(71)62(38-22-31(53)25-59(3)50(38)70)42(43)28-7-9-30(52)10-8-28)58-44(61)36-21-29(24-55-47(36)72-4)45(66)54-17-5-6-18-60-19-15-32(16-20-60)56-40(65)26-73-33-11-12-34-35(23-33)49(69)63(48(34)68)37-13-14-39(64)57-46(37)67/h7-12,21-25,27,32,37,42H,5-6,13-20,26H2,1-4H3,(H,54,66)(H,56,65)(H,57,64,67)/t37?,42-/m0/s1
• InChIKey: MTNSTLFGXDGOTJ-AKGPCBEQSA-N
• XLogP: 4.86
• TPSA: 236.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 16
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1035.94
LogP ≤ 5	4.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide?

The IUPAC name of 5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide (CID 171554675) is 5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide.

What is the SMILES notation for 5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide?

The canonical SMILES for 5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide is COc1ncc(C(=O)NCCCCN2CCC(NC(=O)COc3ccc4c(c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)cc1-c1nc2c(n1C(C)C)[C@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O.

What is the InChIKey of 5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide?

The InChIKey is MTNSTLFGXDGOTJ-AKGPCBEQSA-N. The full InChI is InChI=1S/C51H52Cl2N10O10/c1-27(2)61-43-41(51(71)62(38-22-31(53)25-59(3)50(38)70)42(43)28-7-9-30(52)10-8-28)58-44(61)36-21-29(24-55-47(36)72-4)45(66)54-17-5-6-18-60-19-15-32(16-20-60)56-40(65)26-73-33-11-12-34-35(23-33)49(69)63(48(34)68)37-13-14-39(64)57-46(37)67/h7-12,21-25,27,32,37,42H,5-6,13-20,26H2,1-4H3,(H,54,66)(H,56,65)(H,57,64,67)/t37?,42-/m0/s1.

What are the key properties of 5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide?

5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 1035.94 g/mol, XLogP of 4.86, 16 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4S)-5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-4-(4-chlorophenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-N-[4-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]piperidin-1-yl]butyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 171554675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).