5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide

C67H81FN12O8 — CID 166843877

About 5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide

5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide (PubChem CID 166843877) has the molecular formula C67H81FN12O8 and a molecular weight of 1201.46 g/mol. Its IUPAC name is 5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: 5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide
• PubChem CID: 166843877
• Molecular Formula: C67H81FN12O8
• Molecular Weight: 1201.46 g/mol
• Exact Mass: 1200.63
• IUPAC Name: 5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide
• SMILES: Cc1cc(F)c(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCN(C(=O)CC5CCC(Nc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7O)CC5)C4)CC3)cc3ncn(C(C)C)c23)cc1C(=O)NC(C)C
• InChI: InChI=1S/C67H81FN12O8/c1-37(2)70-61(83)47-33-52(49(68)28-39(47)5)73-60-59-53(69-36-78(59)38(3)4)34-51(72-60)41-14-17-48-55(30-41)79(45-31-44(32-45)75-23-7-6-8-24-75)66(88)67(48)21-26-76(27-22-67)63(85)42-20-25-77(35-42)57(82)29-40-12-15-43(16-13-40)71-50-11-9-10-46-58(50)65(87)80(64(46)86)54-18-19-56(81)74-62(54)84/h9-11,14,17,28,30,33-34,36-38,40,42-45,54,64,71,86H,6-8,12-13,15-16,18-27,29,31-32,35H2,1-5H3,(H,70,83)(H,72,73)(H,74,81,84)/t40?,42-,43?,44?,45?,54?,64?/m1/s1
• InChIKey: KKFYNKYKEODVKR-APRLOFFLSA-N
• XLogP: 8.39
• TPSA: 234.75 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 14
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1201.46
LogP ≤ 5	8.39
H-Bond Donors ≤ 5	5
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 5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide?

The IUPAC name of 5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide (CID 166843877) is 5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide.

What is the SMILES notation for 5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide?

The canonical SMILES for 5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide is Cc1cc(F)c(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCN(C(=O)CC5CCC(Nc6cccc7c6C(=O)N(C6CCC(=O)NC6=O)C7O)CC5)C4)CC3)cc3ncn(C(C)C)c23)cc1C(=O)NC(C)C.

What is the InChIKey of 5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide?

The InChIKey is KKFYNKYKEODVKR-APRLOFFLSA-N. The full InChI is InChI=1S/C67H81FN12O8/c1-37(2)70-61(83)47-33-52(49(68)28-39(47)5)73-60-59-53(69-36-78(59)38(3)4)34-51(72-60)41-14-17-48-55(30-41)79(45-31-44(32-45)75-23-7-6-8-24-75)66(88)67(48)21-26-76(27-22-67)63(85)42-20-25-77(35-42)57(82)29-40-12-15-43(16-13-40)71-50-11-9-10-46-58(50)65(87)80(64(46)86)54-18-19-56(81)74-62(54)84/h9-11,14,17,28,30,33-34,36-38,40,42-45,54,64,71,86H,6-8,12-13,15-16,18-27,29,31-32,35H2,1-5H3,(H,70,83)(H,72,73)(H,74,81,84)/t40?,42-,43?,44?,45?,54?,64?/m1/s1.

What are the key properties of 5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide?

5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide has a molecular weight of 1201.46 g/mol, XLogP of 8.39, 14 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-[1'-[(3R)-1-[2-[4-[[2-(2,6-dioxopiperidin-3-yl)-1-hydroxy-3-oxo-1H-isoindol-4-yl]amino]cyclohexyl]acetyl]pyrrolidine-3-carbonyl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 166843877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).