N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C40H43F3N8O6S — CID 155751862

About N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 155751862) has the molecular formula C40H43F3N8O6S and a molecular weight of 820.89 g/mol. Its IUPAC name is N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 155751862
• Molecular Formula: C40H43F3N8O6S
• Molecular Weight: 820.89 g/mol
• Exact Mass: 820.30
• IUPAC Name: N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C3CCN(CC4CCC(n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(S(C)(=O)=O)cc6n5)CC4)CC3)c21
• InChI: InChI=1S/C40H43F3N8O6S/c1-48-36-27(5-3-7-31(36)51(39(48)55)32-13-14-35(52)46-38(32)54)24-15-17-49(18-16-24)21-23-9-11-26(12-10-23)50-22-25-19-30(33(58(2,56)57)20-29(25)47-50)45-37(53)28-6-4-8-34(44-28)40(41,42)43/h3-8,19-20,22-24,26,32H,9-18,21H2,1-2H3,(H,45,53)(H,46,52,54)
• InChIKey: COYFSCSZSHLPKT-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 170.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	820.89
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 155751862) is N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C3CCN(CC4CCC(n5cc6cc(NC(=O)c7cccc(C(F)(F)F)n7)c(S(C)(=O)=O)cc6n5)CC4)CC3)c21.

What is the InChIKey of N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is COYFSCSZSHLPKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43F3N8O6S/c1-48-36-27(5-3-7-31(36)51(39(48)55)32-13-14-35(52)46-38(32)54)24-15-17-49(18-16-24)21-23-9-11-26(12-10-23)50-22-25-19-30(33(58(2,56)57)20-29(25)47-50)45-37(53)28-6-4-8-34(44-28)40(41,42)43/h3-8,19-20,22-24,26,32H,9-18,21H2,1-2H3,(H,45,53)(H,46,52,54).

What are the key properties of N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 820.89 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 155751862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).