N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide

C43H46F3N9O5 — CID 175629900

About N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide

N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide (PubChem CID 175629900) has the molecular formula C43H46F3N9O5 and a molecular weight of 825.89 g/mol. Its IUPAC name is N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide.

Molecular Properties

• Compound Name: N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
• PubChem CID: 175629900
• Molecular Formula: C43H46F3N9O5
• Molecular Weight: 825.89 g/mol
• Exact Mass: 825.36
• IUPAC Name: N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide
• SMILES: CN1c2cc(CCCN3CCn4c(-c5ccc6cn(C7CCC(CNC(=O)c8cc(F)c(O)c(F)c8F)CC7)nc6c5)cnc4C3)ccc2N(C2CCC(=O)NC2=O)C1O
• InChI: InChI=1S/C43H46F3N9O5/c1-51-34-17-24(6-11-32(34)55(43(51)60)33-12-13-37(56)49-42(33)59)3-2-14-52-15-16-53-35(21-47-36(53)23-52)26-7-8-27-22-54(50-31(27)18-26)28-9-4-25(5-10-28)20-48-41(58)29-19-30(44)40(57)39(46)38(29)45/h6-8,11,17-19,21-22,25,28,33,43,57,60H,2-5,9-10,12-16,20,23H2,1H3,(H,48,58)(H,49,56,59)
• InChIKey: SJKJARLIQSSQQC-UHFFFAOYSA-N
• XLogP: 4.97
• TPSA: 161.09 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.89
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide?

The IUPAC name of N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide (CID 175629900) is N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide.

What is the SMILES notation for N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide?

The canonical SMILES for N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide is CN1c2cc(CCCN3CCn4c(-c5ccc6cn(C7CCC(CNC(=O)c8cc(F)c(O)c(F)c8F)CC7)nc6c5)cnc4C3)ccc2N(C2CCC(=O)NC2=O)C1O.

What is the InChIKey of N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide?

The InChIKey is SJKJARLIQSSQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H46F3N9O5/c1-51-34-17-24(6-11-32(34)55(43(51)60)33-12-13-37(56)49-42(33)59)3-2-14-52-15-16-53-35(21-47-36(53)23-52)26-7-8-27-22-54(50-31(27)18-26)28-9-4-25(5-10-28)20-48-41(58)29-19-30(44)40(57)39(46)38(29)45/h6-8,11,17-19,21-22,25,28,33,43,57,60H,2-5,9-10,12-16,20,23H2,1H3,(H,48,58)(H,49,56,59).

What are the key properties of N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide?

N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide has a molecular weight of 825.89 g/mol, XLogP of 4.97, 10 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[6-[7-[3-[1-(2,6-dioxopiperidin-3-yl)-2-hydroxy-3-methyl-2H-benzimidazol-5-yl]propyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]indazol-2-yl]cyclohexyl]methyl]-2,3,5-trifluoro-4-hydroxybenzamide is sourced from PubChem (CID 175629900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).