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

C60H67FN12O7 — CID 174167094

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione (PubChem CID 174167094) has the molecular formula C60H67FN12O7 and a molecular weight of 1087.27 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione
• PubChem CID: 174167094
• Molecular Formula: C60H67FN12O7
• Molecular Weight: 1087.27 g/mol
• Exact Mass: 1086.52
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione
• SMILES: CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)nc(Nc3ccncc3F)c21
• InChI: InChI=1S/C60H67FN12O7/c1-35(2)71-34-63-48-32-47(65-53(52(48)71)64-46-12-19-62-33-45(46)61)38-6-9-44-50(28-38)72(41-29-40(30-41)67-20-4-3-5-21-67)59(80)60(44)17-26-70(27-18-60)56(77)37-15-24-69(25-16-37)55(76)36-13-22-68(23-14-36)39-7-8-42-43(31-39)58(79)73(57(42)78)49-10-11-51(74)66-54(49)75/h6-9,12,19,28,31-37,40-41,49H,3-5,10-11,13-18,20-27,29-30H2,1-2H3,(H,62,64,65)(H,66,74,75)
• InChIKey: UEPBWEAZYXHUCY-UHFFFAOYSA-N
• XLogP: 6.74
• TPSA: 206.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1087.27
LogP ≤ 5	6.74
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-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione (CID 174167094) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione is CC(C)n1cnc2cc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)C4CCN(C(=O)C5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)CC4)CC3)nc(Nc3ccncc3F)c21.

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

The InChIKey is UEPBWEAZYXHUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H67FN12O7/c1-35(2)71-34-63-48-32-47(65-53(52(48)71)64-46-12-19-62-33-45(46)61)38-6-9-44-50(28-38)72(41-29-40(30-41)67-20-4-3-5-21-67)59(80)60(44)17-26-70(27-18-60)56(77)37-15-24-69(25-16-37)55(76)36-13-22-68(23-14-36)39-7-8-42-43(31-39)58(79)73(57(42)78)49-10-11-51(74)66-54(49)75/h6-9,12,19,28,31-37,40-41,49H,3-5,10-11,13-18,20-27,29-30H2,1-2H3,(H,62,64,65)(H,66,74,75).

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 1087.27 g/mol, XLogP of 6.74, 10 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-[(3-fluoro-4-pyridinyl)amino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]piperidine-1-carbonyl]piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 174167094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).