N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide

C40H44ClN9O7 — CID 171554355

About N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide

N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide (PubChem CID 171554355) has the molecular formula C40H44ClN9O7 and a molecular weight of 798.30 g/mol. Its IUPAC name is N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide.

Molecular Properties

• Compound Name: N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide
• PubChem CID: 171554355
• Molecular Formula: C40H44ClN9O7
• Molecular Weight: 798.30 g/mol
• Exact Mass: 797.31
• IUPAC Name: N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide
• SMILES: COc1ncc(C(=O)N2CCC(c3ccc(N(C)C4CCC(=O)NC4=O)c(N(C)C=O)c3)CC2)cc1-c1nc2c(n1C(C)C)CN(c1cc(Cl)cn(C)c1=O)C2=O
• InChI: InChI=1S/C40H44ClN9O7/c1-22(2)50-32-20-49(31-17-26(41)19-45(3)39(31)55)40(56)34(32)44-35(50)27-15-25(18-42-37(27)57-6)38(54)48-13-11-23(12-14-48)24-7-8-28(30(16-24)46(4)21-51)47(5)29-9-10-33(52)43-36(29)53/h7-8,15-19,21-23,29H,9-14,20H2,1-6H3,(H,43,52,53)
• InChIKey: BMSMOKHOIHVLNJ-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 172.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	798.30
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide?

The IUPAC name of N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide (CID 171554355) is N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide.

What is the SMILES notation for N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide?

The canonical SMILES for N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide is COc1ncc(C(=O)N2CCC(c3ccc(N(C)C4CCC(=O)NC4=O)c(N(C)C=O)c3)CC2)cc1-c1nc2c(n1C(C)C)CN(c1cc(Cl)cn(C)c1=O)C2=O.

What is the InChIKey of N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide?

The InChIKey is BMSMOKHOIHVLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H44ClN9O7/c1-22(2)50-32-20-49(31-17-26(41)19-45(3)39(31)55)40(56)34(32)44-35(50)27-15-25(18-42-37(27)57-6)38(54)48-13-11-23(12-14-48)24-7-8-28(30(16-24)46(4)21-51)47(5)29-9-10-33(52)43-36(29)53/h7-8,15-19,21-23,29H,9-14,20H2,1-6H3,(H,43,52,53).

What are the key properties of N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide?

N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide has a molecular weight of 798.30 g/mol, XLogP of 3.90, 10 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[1-[5-[5-(5-chloro-1-methyl-2-oxo-3-pyridinyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-d]imidazol-2-yl]-6-methoxypyridine-3-carbonyl]piperidin-4-yl]-2-[(2,6-dioxopiperidin-3-yl)-methylamino]phenyl]-N-methylformamide is sourced from PubChem (CID 171554355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).