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

C40H41F5N8O5 — CID 170386247

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

N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 170386247) has the molecular formula C40H41F5N8O5 and a molecular weight of 808.81 g/mol. Its IUPAC name is N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 170386247
• Molecular Formula: C40H41F5N8O5
• Molecular Weight: 808.81 g/mol
• Exact Mass: 808.31
• IUPAC Name: N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: COc1ccc2c(c1C1CCN(CC3CCC(n4cc5cc(NC(=O)c6cccc(C(F)(F)F)n6)ccc5n4)CC3)CC1(F)F)n(C)c(=O)n2C1CCC(=O)NC1=O
• InChI: InChI=1S/C40H41F5N8O5/c1-50-35-29(53(38(50)57)30-13-15-33(54)48-37(30)56)12-14-31(58-2)34(35)26-16-17-51(21-39(26,41)42)19-22-6-9-25(10-7-22)52-20-23-18-24(8-11-27(23)49-52)46-36(55)28-4-3-5-32(47-28)40(43,44)45/h3-5,8,11-12,14,18,20,22,25-26,30H,6-7,9-10,13,15-17,19,21H2,1-2H3,(H,46,55)(H,48,54,56)
• InChIKey: WPQKIIZYJQFYNS-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 145.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	808.81
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 170386247) is N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

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

The canonical SMILES for N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is COc1ccc2c(c1C1CCN(CC3CCC(n4cc5cc(NC(=O)c6cccc(C(F)(F)F)n6)ccc5n4)CC3)CC1(F)F)n(C)c(=O)n2C1CCC(=O)NC1=O.

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

The InChIKey is WPQKIIZYJQFYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H41F5N8O5/c1-50-35-29(53(38(50)57)30-13-15-33(54)48-37(30)56)12-14-31(58-2)34(35)26-16-17-51(21-39(26,41)42)19-22-6-9-25(10-7-22)52-20-23-18-24(8-11-27(23)49-52)46-36(55)28-4-3-5-32(47-28)40(43,44)45/h3-5,8,11-12,14,18,20,22,25-26,30H,6-7,9-10,13,15-17,19,21H2,1-2H3,(H,46,55)(H,48,54,56).

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

N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 808.81 g/mol, XLogP of 6.20, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]-3,3-difluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 170386247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).