4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

C46H53FN8O5 — CID 176932600

About 4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide

4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (PubChem CID 176932600) has the molecular formula C46H53FN8O5 and a molecular weight of 816.98 g/mol. Its IUPAC name is 4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• PubChem CID: 176932600
• Molecular Formula: C46H53FN8O5
• Molecular Weight: 816.98 g/mol
• Exact Mass: 816.41
• IUPAC Name: 4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide
• SMILES: CC(C)C(=O)N1CCC=C(c2cc(-c3ccc(N4CCN(CCCc5ccc6c(c5)n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)cc3)c3cc(C(=O)N(C)C)[nH]c3c2F)C1
• InChI: InChI=1S/C46H53FN8O5/c1-28(2)44(58)54-19-7-9-31(27-54)34-25-33(35-26-36(45(59)50(3)4)48-42(35)41(34)47)30-11-13-32(14-12-30)53-22-20-52(21-23-53)18-6-8-29-10-15-37-39(24-29)51(5)46(60)55(37)38-16-17-40(56)49-43(38)57/h9-15,24-26,28,38,48H,6-8,16-23,27H2,1-5H3,(H,49,56,57)
• InChIKey: AGITZYKBHDKYEJ-UHFFFAOYSA-N
• XLogP: 5.33
• TPSA: 135.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.98
LogP ≤ 5	5.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The IUPAC name of 4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide (CID 176932600) is 4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for 4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The canonical SMILES for 4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is CC(C)C(=O)N1CCC=C(c2cc(-c3ccc(N4CCN(CCCc5ccc6c(c5)n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)cc3)c3cc(C(=O)N(C)C)[nH]c3c2F)C1.

What is the InChIKey of 4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

The InChIKey is AGITZYKBHDKYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H53FN8O5/c1-28(2)44(58)54-19-7-9-31(27-54)34-25-33(35-26-36(45(59)50(3)4)48-42(35)41(34)47)30-11-13-32(14-12-30)53-22-20-52(21-23-53)18-6-8-29-10-15-37-39(24-29)51(5)46(60)55(37)38-16-17-40(56)49-43(38)57/h9-15,24-26,28,38,48H,6-8,16-23,27H2,1-5H3,(H,49,56,57).

What are the key properties of 4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide?

4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide has a molecular weight of 816.98 g/mol, XLogP of 5.33, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[4-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propyl]piperazin-1-yl]phenyl]-7-fluoro-N,N-dimethyl-6-[1-(2-methylpropanoyl)-3,6-dihydro-2H-pyridin-5-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 176932600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).