2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride

C43H53ClF3N9O4S — CID 162510263

About 2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride

2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride (PubChem CID 162510263) has the molecular formula C43H53ClF3N9O4S and a molecular weight of 884.47 g/mol. Its IUPAC name is 2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: 2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride
• PubChem CID: 162510263
• Molecular Formula: C43H53ClF3N9O4S
• Molecular Weight: 884.47 g/mol
• Exact Mass: 883.36
• IUPAC Name: 2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride
• SMILES: C[C@@H]1CN(CCCC2CCC(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)CC2)C[C@H](C)N1CC(=O)Nc1cccc2c(C3CCC(=O)NC3=O)nn(C)c12.Cl
• InChI: InChI=1S/C43H52F3N9O4S.ClH/c1-25-22-52(23-26(2)53(25)24-36(57)48-34-10-6-9-31-37(50-51(5)38(31)34)32-17-18-35(56)49-39(32)58)19-7-8-27-11-14-29(15-12-27)55-41(60)54(40(59)42(55,3)4)30-16-13-28(21-47)33(20-30)43(44,45)46;/h6,9-10,13,16,20,25-27,29,32H,7-8,11-12,14-15,17-19,22-24H2,1-5H3,(H,48,57)(H,49,56,58);1H/t25-,26+,27?,29?,32?
• InChIKey: SKJYSBGXFWCEGM-LHEHDOGRSA-N
• XLogP: 6.49
• TPSA: 146.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	884.47
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride?

The IUPAC name of 2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride (CID 162510263) is 2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride.

What is the SMILES notation for 2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride?

The canonical SMILES for 2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride is C[C@@H]1CN(CCCC2CCC(N3C(=S)N(c4ccc(C#N)c(C(F)(F)F)c4)C(=O)C3(C)C)CC2)C[C@H](C)N1CC(=O)Nc1cccc2c(C3CCC(=O)NC3=O)nn(C)c12.Cl.

What is the InChIKey of 2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride?

The InChIKey is SKJYSBGXFWCEGM-LHEHDOGRSA-N. The full InChI is InChI=1S/C43H52F3N9O4S.ClH/c1-25-22-52(23-26(2)53(25)24-36(57)48-34-10-6-9-31-37(50-51(5)38(31)34)32-17-18-35(56)49-39(32)58)19-7-8-27-11-14-29(15-12-27)55-41(60)54(40(59)42(55,3)4)30-16-13-28(21-47)33(20-30)43(44,45)46;/h6,9-10,13,16,20,25-27,29,32H,7-8,11-12,14-15,17-19,22-24H2,1-5H3,(H,48,57)(H,49,56,58);1H/t25-,26+,27?,29?,32?;.

What are the key properties of 2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride?

2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride has a molecular weight of 884.47 g/mol, XLogP of 6.49, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,6S)-4-[3-[4-[3-[4-cyano-3-(trifluoromethyl)phenyl]-5,5-dimethyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]cyclohexyl]propyl]-2,6-dimethylpiperazin-1-yl]-N-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-7-yl]acetamide;hydrochloride is sourced from PubChem (CID 162510263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).