5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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

C67H78FN11O8 — CID 163667991

About 5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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 163667991) has the molecular formula C67H78FN11O8 and a molecular weight of 1184.43 g/mol. Its IUPAC name is 5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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: 163667991
• Molecular Formula: C67H78FN11O8
• Molecular Weight: 1184.43 g/mol
• Exact Mass: 1183.60
• IUPAC Name: 5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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)C5CCC(Cc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)CC3)cc3ncn(C(C)C)c23)cc1C(=O)NC(C)C
• InChI: InChI=1S/C67H78FN11O8/c1-37(2)70-60(81)48-33-53(51(68)27-39(48)5)72-59-58-54(69-36-77(58)38(3)4)34-52(71-59)43-14-16-50-56(30-43)78(46-31-45(32-46)74-22-7-6-8-23-74)66(87)67(50)20-25-75(26-21-67)63(84)44-19-24-76(35-44)62(83)42-12-9-40(10-13-42)28-41-11-15-47-49(29-41)65(86)79(64(47)85)55-17-18-57(80)73-61(55)82/h11,14-16,27,29-30,33-34,36-38,40,42,44-46,55H,6-10,12-13,17-26,28,31-32,35H2,1-5H3,(H,70,81)(H,71,72)(H,73,80,82)/t40?,42?,44-,45?,46?,55?/m1/s1
• InChIKey: JACCQCNWINGPHY-MNYCPDHISA-N
• XLogP: 8.53
• TPSA: 219.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 13
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1184.43
LogP ≤ 5	8.53
H-Bond Donors ≤ 5	3
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 5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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 163667991) is 5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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)C5CCC(Cc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)CC3)cc3ncn(C(C)C)c23)cc1C(=O)NC(C)C.

What is the InChIKey of 5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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 JACCQCNWINGPHY-MNYCPDHISA-N. The full InChI is InChI=1S/C67H78FN11O8/c1-37(2)70-60(81)48-33-53(51(68)27-39(48)5)72-59-58-54(69-36-77(58)38(3)4)34-52(71-59)43-14-16-50-56(30-43)78(46-31-45(32-46)74-22-7-6-8-23-74)66(87)67(50)20-25-75(26-21-67)63(84)44-19-24-76(35-44)62(83)42-12-9-40(10-13-42)28-41-11-15-47-49(29-41)65(86)79(64(47)85)55-17-18-57(80)73-61(55)82/h11,14-16,27,29-30,33-34,36-38,40,42,44-46,55H,6-10,12-13,17-26,28,31-32,35H2,1-5H3,(H,70,81)(H,71,72)(H,73,80,82)/t40?,42?,44-,45?,46?,55?/m1/s1.

What are the key properties of 5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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 1184.43 g/mol, XLogP of 8.53, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]methyl]cyclohexanecarbonyl]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 163667991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).