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

C43H43F4N7O5 — CID 176931733

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

6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide (PubChem CID 176931733) has the molecular formula C43H43F4N7O5 and a molecular weight of 813.85 g/mol. Its IUPAC name is 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide
• PubChem CID: 176931733
• Molecular Formula: C43H43F4N7O5
• Molecular Weight: 813.85 g/mol
• Exact Mass: 813.33
• IUPAC Name: 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide
• SMILES: CC(=O)N1CCC=C(c2cc(-c3ccc(C4CCN(c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)cc3C(F)(F)F)c3cc(C(=O)N(C)C)[nH]c3c2F)C1
• InChI: InChI=1S/C43H43F4N7O5/c1-23(55)53-16-6-7-26(22-53)28-20-29(30-21-32(41(58)50(2)3)48-38(30)37(28)44)27-11-10-25(19-31(27)43(45,46)47)24-14-17-52(18-15-24)33-8-5-9-34-39(33)51(4)42(59)54(34)35-12-13-36(56)49-40(35)57/h5,7-11,19-21,24,35,48H,6,12-18,22H2,1-4H3,(H,49,56,57)
• InChIKey: RSZGACOARMRVPH-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 132.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	813.85
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide (CID 176931733) is 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide.

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

The canonical SMILES for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide is CC(=O)N1CCC=C(c2cc(-c3ccc(C4CCN(c5cccc6c5n(C)c(=O)n6C5CCC(=O)NC5=O)CC4)cc3C(F)(F)F)c3cc(C(=O)N(C)C)[nH]c3c2F)C1.

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

The InChIKey is RSZGACOARMRVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H43F4N7O5/c1-23(55)53-16-6-7-26(22-53)28-20-29(30-21-32(41(58)50(2)3)48-38(30)37(28)44)27-11-10-25(19-31(27)43(45,46)47)24-14-17-52(18-15-24)33-8-5-9-34-39(33)51(4)42(59)54(34)35-12-13-36(56)49-40(35)57/h5,7-11,19-21,24,35,48H,6,12-18,22H2,1-4H3,(H,49,56,57).

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

6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide has a molecular weight of 813.85 g/mol, XLogP of 6.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-acetyl-3,6-dihydro-2H-pyridin-5-yl)-4-[4-[1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-4-yl]-2-(trifluoromethyl)phenyl]-7-fluoro-N,N-dimethyl-1H-indole-2-carboxamide is sourced from PubChem (CID 176931733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).