N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide

C43H47ClFN9O6 — CID 155218458

About N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide (PubChem CID 155218458) has the molecular formula C43H47ClFN9O6 and a molecular weight of 840.36 g/mol. Its IUPAC name is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide
• PubChem CID: 155218458
• Molecular Formula: C43H47ClFN9O6
• Molecular Weight: 840.36 g/mol
• Exact Mass: 839.33
• IUPAC Name: N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide
• SMILES: N#Cc1ccc(OC2CCC(NC(=O)c3ncn(C4CCC(CN5CCC6(CC5)CN(c5cc7c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)n3)CC2)cc1Cl
• InChI: InChI=1S/C43H47ClFN9O6/c44-33-17-30(8-3-26(33)20-46)60-29-9-4-27(5-10-29)48-40(57)38-47-24-53(50-38)28-6-1-25(2-7-28)21-51-15-13-43(14-16-51)22-52(23-43)36-19-32-31(18-34(36)45)41(58)54(42(32)59)35-11-12-37(55)49-39(35)56/h3,8,17-19,24-25,27-29,35H,1-2,4-7,9-16,21-23H2,(H,48,57)(H,49,55,56)
• InChIKey: DCAIEVLDXCQLDR-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 182.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	840.36
LogP ≤ 5	4.80
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-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide?

The IUPAC name of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide (CID 155218458) is N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide.

What is the SMILES notation for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide?

The canonical SMILES for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide is N#Cc1ccc(OC2CCC(NC(=O)c3ncn(C4CCC(CN5CCC6(CC5)CN(c5cc7c(cc5F)C(=O)N(C5CCC(=O)NC5=O)C7=O)C6)CC4)n3)CC2)cc1Cl.

What is the InChIKey of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide?

The InChIKey is DCAIEVLDXCQLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47ClFN9O6/c44-33-17-30(8-3-26(33)20-46)60-29-9-4-27(5-10-29)48-40(57)38-47-24-53(50-38)28-6-1-25(2-7-28)21-51-15-13-43(14-16-51)22-52(23-43)36-19-32-31(18-34(36)45)41(58)54(42(32)59)35-11-12-37(55)49-39(35)56/h3,8,17-19,24-25,27-29,35H,1-2,4-7,9-16,21-23H2,(H,48,57)(H,49,55,56).

What are the key properties of N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide?

N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide has a molecular weight of 840.36 g/mol, XLogP of 4.80, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-1-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-6-fluoro-1,3-dioxoisoindol-5-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]cyclohexyl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 155218458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).