5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide

C42H44F2N10O5 — CID 176641328

About 5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide

5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide (PubChem CID 176641328) has the molecular formula C42H44F2N10O5 and a molecular weight of 806.88 g/mol. Its IUPAC name is 5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide
• PubChem CID: 176641328
• Molecular Formula: C42H44F2N10O5
• Molecular Weight: 806.88 g/mol
• Exact Mass: 806.35
• IUPAC Name: 5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide
• SMILES: COc1cc2nn(C3CCC(CN4CCC5(CN(c6cccc7c6n(C)c(=O)n7C6CCC(=O)NC6=O)C5)C(F)(F)C4)CC3)cc2cc1NC(=O)c1cncc(C#N)c1
• InChI: InChI=1S/C42H44F2N10O5/c1-50-37-32(4-3-5-33(37)54(40(50)58)34-10-11-36(55)48-39(34)57)52-22-41(23-52)12-13-51(24-42(41,43)44)20-25-6-8-29(9-7-25)53-21-28-15-31(35(59-2)16-30(28)49-53)47-38(56)27-14-26(17-45)18-46-19-27/h3-5,14-16,18-19,21,25,29,34H,6-13,20,22-24H2,1-2H3,(H,47,56)(H,48,55,57)
• InChIKey: UAIQQGPPSYHEHO-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 172.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.88
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide?

The IUPAC name of 5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide (CID 176641328) is 5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide.

What is the SMILES notation for 5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide?

The canonical SMILES for 5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide is COc1cc2nn(C3CCC(CN4CCC5(CN(c6cccc7c6n(C)c(=O)n7C6CCC(=O)NC6=O)C5)C(F)(F)C4)CC3)cc2cc1NC(=O)c1cncc(C#N)c1.

What is the InChIKey of 5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide?

The InChIKey is UAIQQGPPSYHEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H44F2N10O5/c1-50-37-32(4-3-5-33(37)54(40(50)58)34-10-11-36(55)48-39(34)57)52-22-41(23-52)12-13-51(24-42(41,43)44)20-25-6-8-29(9-7-25)53-21-28-15-31(35(59-2)16-30(28)49-53)47-38(56)27-14-26(17-45)18-46-19-27/h3-5,14-16,18-19,21,25,29,34H,6-13,20,22-24H2,1-2H3,(H,47,56)(H,48,55,57).

What are the key properties of 5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide?

5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide has a molecular weight of 806.88 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-[2-[4-[[2-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-5,5-difluoro-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-6-methoxyindazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 176641328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).