2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

C43H43F3N8O5 — CID 166046131

About 2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (PubChem CID 166046131) has the molecular formula C43H43F3N8O5 and a molecular weight of 808.86 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• PubChem CID: 166046131
• Molecular Formula: C43H43F3N8O5
• Molecular Weight: 808.86 g/mol
• Exact Mass: 808.33
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
• SMILES: [C-]#[N+]c1ncc(N2CC3(CCN(c4ccc(C(=O)N5CCC(N6Cc7cc8c(cc7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)cc4)CC3)C[C@@H]2C)cc1C(F)(F)F
• InChI: InChI=1S/C43H43F3N8O5/c1-25-20-42(24-53(25)31-19-34(43(44,45)46)37(47-2)48-21-31)11-15-50(16-12-42)29-5-3-26(4-6-29)39(57)51-13-9-30(10-14-51)52-22-27-17-32-33(18-28(27)23-52)41(59)54(40(32)58)35-7-8-36(55)49-38(35)56/h3-6,17-19,21,25,30,35H,7-16,20,22-24H2,1H3,(H,49,55,56)/t25-,35?/m0/s1
• InChIKey: FGDGAZGTEXVSQD-LLIHCOLESA-N
• XLogP: 5.56
• TPSA: 130.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.86
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione (CID 166046131) is 2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is [C-]#[N+]c1ncc(N2CC3(CCN(c4ccc(C(=O)N5CCC(N6Cc7cc8c(cc7C6)C(=O)N(C6CCC(=O)NC6=O)C8=O)CC5)cc4)CC3)C[C@@H]2C)cc1C(F)(F)F.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

The InChIKey is FGDGAZGTEXVSQD-LLIHCOLESA-N. The full InChI is InChI=1S/C43H43F3N8O5/c1-25-20-42(24-53(25)31-19-34(43(44,45)46)37(47-2)48-21-31)11-15-50(16-12-42)29-5-3-26(4-6-29)39(57)51-13-9-30(10-14-51)52-22-27-17-32-33(18-28(27)23-52)41(59)54(40(32)58)35-7-8-36(55)49-38(35)56/h3-6,17-19,21,25,30,35H,7-16,20,22-24H2,1H3,(H,49,55,56)/t25-,35?/m0/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione has a molecular weight of 808.86 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-6-[1-[4-[(3S)-2-[6-isocyano-5-(trifluoromethyl)-3-pyridinyl]-3-methyl-2,8-diazaspiro[4.5]decan-8-yl]benzoyl]piperidin-4-yl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione is sourced from PubChem (CID 166046131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).