2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione

C68H74FN11O8 — CID 163421614

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione (PubChem CID 163421614) has the molecular formula C68H74FN11O8 and a molecular weight of 1192.41 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 163421614
• Molecular Formula: C68H74FN11O8
• Molecular Weight: 1192.41 g/mol
• Exact Mass: 1191.57
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione
• SMILES: Cc1cc(F)c(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)c4ccc(C(=O)N5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5C)cc4)CC3)cc3ncn(C(C)C)c23)cc1C(=O)CC(C)C
• InChI: InChI=1S/C68H74FN11O8/c1-38(2)28-58(81)49-34-54(52(69)29-40(49)5)72-61-60-55(70-37-78(60)39(3)4)35-53(71-61)44-14-17-51-57(30-44)79(47-31-46(32-47)74-22-8-7-9-23-74)67(88)68(51)20-24-75(25-21-68)63(84)42-10-12-43(13-11-42)64(85)77-27-26-76(36-41(77)6)45-15-16-48-50(33-45)66(87)80(65(48)86)56-18-19-59(82)73-62(56)83/h10-17,29-30,33-35,37-39,41,46-47,56H,7-9,18-28,31-32,36H2,1-6H3,(H,71,72)(H,73,82,83)
• InChIKey: AIXQFDDZKCTKAE-UHFFFAOYSA-N
• XLogP: 9.39
• TPSA: 210.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1192.41
LogP ≤ 5	9.39
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione (CID 163421614) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione is Cc1cc(F)c(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)c4ccc(C(=O)N5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5C)cc4)CC3)cc3ncn(C(C)C)c23)cc1C(=O)CC(C)C.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione?

The InChIKey is AIXQFDDZKCTKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H74FN11O8/c1-38(2)28-58(81)49-34-54(52(69)29-40(49)5)72-61-60-55(70-37-78(60)39(3)4)35-53(71-61)44-14-17-51-57(30-44)79(47-31-46(32-47)74-22-8-7-9-23-74)67(88)68(51)20-24-75(25-21-68)63(84)42-10-12-43(13-11-42)64(85)77-27-26-76(36-41(77)6)45-15-16-48-50(33-45)66(87)80(65(48)86)56-18-19-59(82)73-62(56)83/h10-17,29-30,33-35,37-39,41,46-47,56H,7-9,18-28,31-32,36H2,1-6H3,(H,71,72)(H,73,82,83).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione has a molecular weight of 1192.41 g/mol, XLogP of 9.39, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 163421614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).