2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide

C41H46F6N10O5S — CID 162510220

About 2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide

2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide (PubChem CID 162510220) has the molecular formula C41H46F6N10O5S and a molecular weight of 904.94 g/mol. Its IUPAC name is 2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide
• PubChem CID: 162510220
• Molecular Formula: C41H46F6N10O5S
• Molecular Weight: 904.94 g/mol
• Exact Mass: 904.33
• IUPAC Name: 2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide
• SMILES: Cn1nc(C2CCC(=O)NC2=O)c2cccc(NC(=O)CN3CCN(CCCOC4CCC(N5C(=S)N(c6cnc(C#N)c(C(F)(F)F)c6)C(=O)C5(C)C)CC4)C[C@@H]3C(F)(F)F)c21
• InChI: InChI=1S/C41H46F6N10O5S/c1-39(2)37(61)56(24-18-28(40(42,43)44)30(19-48)49-20-24)38(63)57(39)23-8-10-25(11-9-23)62-17-5-14-54-15-16-55(31(21-54)41(45,46)47)22-33(59)50-29-7-4-6-26-34(52-53(3)35(26)29)27-12-13-32(58)51-36(27)60/h4,6-7,18,20,23,25,27,31H,5,8-17,21-22H2,1-3H3,(H,50,59)(H,51,58,60)/t23?,25?,27?,31-/m1/s1
• InChIKey: NVXREXMKGJJDCQ-GGRFUEBGSA-N
• XLogP: 5.00
• TPSA: 169.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	904.94
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide?

The IUPAC name of 2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide (CID 162510220) is 2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide.

What is the SMILES notation for 2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide?

The canonical SMILES for 2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide is Cn1nc(C2CCC(=O)NC2=O)c2cccc(NC(=O)CN3CCN(CCCOC4CCC(N5C(=S)N(c6cnc(C#N)c(C(F)(F)F)c6)C(=O)C5(C)C)CC4)C[C@@H]3C(F)(F)F)c21.

What is the InChIKey of 2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide?

The InChIKey is NVXREXMKGJJDCQ-GGRFUEBGSA-N. The full InChI is InChI=1S/C41H46F6N10O5S/c1-39(2)37(61)56(24-18-28(40(42,43)44)30(19-48)49-20-24)38(63)57(39)23-8-10-25(11-9-23)62-17-5-14-54-15-16-55(31(21-54)41(45,46)47)22-33(59)50-29-7-4-6-26-34(52-53(3)35(26)29)27-12-13-32(58)51-36(27)60/h4,6-7,18,20,23,25,27,31H,5,8-17,21-22H2,1-3H3,(H,50,59)(H,51,58,60)/t23?,25?,27?,31-/m1/s1.

What are the key properties of 2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide?

2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide has a molecular weight of 904.94 g/mol, XLogP of 5.00, 11 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-4-[3-[4-[3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]oxypropyl]-2-(trifluoromethyl)piperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide is sourced from PubChem (CID 162510220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).