5-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide

C52H55Cl2N9O10 — CID 171554345

About 5-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide

5-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide (PubChem CID 171554345) has the molecular formula C52H55Cl2N9O10 and a molecular weight of 1036.97 g/mol. Its IUPAC name is 5-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide
• PubChem CID: 171554345
• Molecular Formula: C52H55Cl2N9O10
• Molecular Weight: 1036.97 g/mol
• Exact Mass: 1035.34
• IUPAC Name: 5-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide
• SMILES: COc1ncc(C(=O)NCCCCCCCCCCNC(=O)COc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1-c1nc2c(n1C(C)C)[C@@H](c1ccc(Cl)cc1)N(c1cc(Cl)cn(C)c1=O)C2=O
• InChI: InChI=1S/C52H55Cl2N9O10/c1-29(2)61-44-42(52(71)62(39-24-33(54)27-60(3)51(39)70)43(44)30-13-15-32(53)16-14-30)59-45(61)37-23-31(26-57-48(37)72-4)46(66)56-22-12-10-8-6-5-7-9-11-21-55-41(65)28-73-34-17-18-35-36(25-34)50(69)63(49(35)68)38-19-20-40(64)58-47(38)67/h13-18,23-27,29,38,43H,5-12,19-22,28H2,1-4H3,(H,55,65)(H,56,66)(H,58,64,67)/t38?,43-/m1/s1
• InChIKey: WZMVOBCNDNTUNR-MGHIMMLLSA-N
• XLogP: 6.74
• TPSA: 233.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1036.97
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide?

The IUPAC name of 5-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide (CID 171554345) is 5-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide.

What is the SMILES notation for 5-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide?

The canonical SMILES for 5-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide is COc1ncc(C(=O)NCCCCCCCCCCNC(=O)COc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)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-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide?

The InChIKey is WZMVOBCNDNTUNR-MGHIMMLLSA-N. The full InChI is InChI=1S/C52H55Cl2N9O10/c1-29(2)61-44-42(52(71)62(39-24-33(54)27-60(3)51(39)70)43(44)30-13-15-32(53)16-14-30)59-45(61)37-23-31(26-57-48(37)72-4)46(66)56-22-12-10-8-6-5-7-9-11-21-55-41(65)28-73-34-17-18-35-36(25-34)50(69)63(49(35)68)38-19-20-40(64)58-47(38)67/h13-18,23-27,29,38,43H,5-12,19-22,28H2,1-4H3,(H,55,65)(H,56,66)(H,58,64,67)/t38?,43-/m1/s1.

What are the key properties of 5-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide?

5-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 1036.97 g/mol, XLogP of 6.74, 21 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4R)-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-[10-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]oxyacetyl]amino]decyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 171554345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).