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

C41H42F3N9O5 — CID 167156477

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

N-[6-cyano-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 167156477) has the molecular formula C41H42F3N9O5 and a molecular weight of 797.84 g/mol. Its IUPAC name is N-[6-cyano-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[6-cyano-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 167156477
• Molecular Formula: C41H42F3N9O5
• Molecular Weight: 797.84 g/mol
• Exact Mass: 797.33
• IUPAC Name: N-[6-cyano-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-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)c(C#N)cc5n4)CC3)CC1)n(C)c(=O)n2C1CCC(=O)NC1=O
• InChI: InChI=1S/C41H42F3N9O5/c1-50-37-31(53(40(50)57)32-11-13-35(54)48-39(32)56)10-12-33(58-2)36(37)24-14-16-51(17-15-24)21-23-6-8-27(9-7-23)52-22-26-19-29(25(20-45)18-30(26)49-52)47-38(55)28-4-3-5-34(46-28)41(42,43)44/h3-5,10,12,18-19,22-24,27,32H,6-9,11,13-17,21H2,1-2H3,(H,47,55)(H,48,54,56)
• InChIKey: QIBRTVHLOLDWOZ-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 169.17 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	797.84
LogP ≤ 5	5.82
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-[6-cyano-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-[6-cyano-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 167156477) is N-[6-cyano-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

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

The canonical SMILES for N-[6-cyano-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-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)c(C#N)cc5n4)CC3)CC1)n(C)c(=O)n2C1CCC(=O)NC1=O.

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

The InChIKey is QIBRTVHLOLDWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H42F3N9O5/c1-50-37-31(53(40(50)57)32-11-13-35(54)48-39(32)56)10-12-33(58-2)36(37)24-14-16-51(17-15-24)21-23-6-8-27(9-7-23)52-22-26-19-29(25(20-45)18-30(26)49-52)47-38(55)28-4-3-5-34(46-28)41(42,43)44/h3-5,10,12,18-19,22-24,27,32H,6-9,11,13-17,21H2,1-2H3,(H,47,55)(H,48,54,56).

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

N-[6-cyano-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 797.84 g/mol, XLogP of 5.82, 8 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-cyano-2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-5-methoxy-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 167156477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).