2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione

C61H68FN11O7 — CID 168882375

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 168882375) has the molecular formula C61H68FN11O7 and a molecular weight of 1086.28 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 168882375
• Molecular Formula: C61H68FN11O7
• Molecular Weight: 1086.28 g/mol
• Exact Mass: 1085.53
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione
• SMILES: CC(C)n1cnc2cc(-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)CC5)CC4)CC3)nc(Nc3ccccc3F)c21
• InChI: InChI=1S/C61H68FN11O7/c1-36(2)71-35-63-49-34-48(65-54(53(49)71)64-47-9-5-4-8-46(47)62)39-14-17-45-51(30-39)72(42-31-41(32-42)67-22-6-3-7-23-67)60(80)61(45)20-24-69(25-21-61)56(76)37-10-12-38(13-11-37)57(77)70-28-26-68(27-29-70)40-15-16-43-44(33-40)59(79)73(58(43)78)50-18-19-52(74)66-55(50)75/h4-5,8-9,14-17,30,33-38,41-42,50H,3,6-7,10-13,18-29,31-32H2,1-2H3,(H,64,65)(H,66,74,75)
• InChIKey: ZTYAUZRJLUIXBF-UHFFFAOYSA-N
• XLogP: 7.34
• TPSA: 193.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1086.28
LogP ≤ 5	7.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

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-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione (CID 168882375) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione is CC(C)n1cnc2cc(-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)CC5)CC4)CC3)nc(Nc3ccccc3F)c21.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione?

The InChIKey is ZTYAUZRJLUIXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H68FN11O7/c1-36(2)71-35-63-49-34-48(65-54(53(49)71)64-47-9-5-4-8-46(47)62)39-14-17-45-51(30-39)72(42-31-41(32-42)67-22-6-3-7-23-67)60(80)61(45)20-24-69(25-21-61)56(76)37-10-12-38(13-11-37)57(77)70-28-26-68(27-29-70)40-15-16-43-44(33-40)59(79)73(58(43)78)50-18-19-52(74)66-55(50)75/h4-5,8-9,14-17,30,33-38,41-42,50H,3,6-7,10-13,18-29,31-32H2,1-2H3,(H,64,65)(H,66,74,75).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 1086.28 g/mol, XLogP of 7.34, 10 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-(2-fluoroanilino)-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]cyclohexanecarbonyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 168882375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).