5-[[6-[1'-[(3R)-1-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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

C68H76FN15O8 — CID 162482464

About 5-[[6-[1'-[(3R)-1-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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 162482464) has the molecular formula C68H76FN15O8 and a molecular weight of 1250.45 g/mol. Its IUPAC name is 5-[[6-[1'-[(3R)-1-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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: 162482464
• Molecular Formula: C68H76FN15O8
• Molecular Weight: 1250.45 g/mol
• Exact Mass: 1249.60
• IUPAC Name: 5-[[6-[1'-[(3R)-1-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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)c5cnc(N6CCN(c7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)cn5)C4)CC3)cc3ncn(C(C)C)c23)cc1C(=O)NC(C)C
• InChI: InChI=1S/C68H76FN15O8/c1-38(2)73-61(86)46-32-50(48(69)28-40(46)5)75-60-59-51(72-37-82(59)39(3)4)33-49(74-60)41-12-13-47-55(29-41)83(44-30-43(31-44)77-19-7-6-8-20-77)67(92)68(47)17-22-80(23-18-68)63(88)42-16-21-81(36-42)65(90)52-34-71-56(35-70-52)79-26-24-78(25-27-79)53-11-9-10-45-58(53)66(91)84(64(45)89)54-14-15-57(85)76-62(54)87/h9-13,28-29,32-35,37-39,42-44,54H,6-8,14-27,30-31,36H2,1-5H3,(H,73,86)(H,74,75)(H,76,85,87)/t42-,43?,44?,54?/m1/s1
• InChIKey: OOVMYACOZVAXOZ-MGKVFEAISA-N
• XLogP: 6.91
• TPSA: 251.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 13
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1250.45
LogP ≤ 5	6.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

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-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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 162482464) is 5-[[6-[1'-[(3R)-1-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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)c5cnc(N6CCN(c7cccc8c7C(=O)N(C7CCC(=O)NC7=O)C8=O)CC6)cn5)C4)CC3)cc3ncn(C(C)C)c23)cc1C(=O)NC(C)C.

What is the InChIKey of 5-[[6-[1'-[(3R)-1-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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 OOVMYACOZVAXOZ-MGKVFEAISA-N. The full InChI is InChI=1S/C68H76FN15O8/c1-38(2)73-61(86)46-32-50(48(69)28-40(46)5)75-60-59-51(72-37-82(59)39(3)4)33-49(74-60)41-12-13-47-55(29-41)83(44-30-43(31-44)77-19-7-6-8-20-77)67(92)68(47)17-22-80(23-18-68)63(88)42-16-21-81(36-42)65(90)52-34-71-56(35-70-52)79-26-24-78(25-27-79)53-11-9-10-45-58(53)66(91)84(64(45)89)54-14-15-57(85)76-62(54)87/h9-13,28-29,32-35,37-39,42-44,54H,6-8,14-27,30-31,36H2,1-5H3,(H,73,86)(H,74,75)(H,76,85,87)/t42-,43?,44?,54?/m1/s1.

What are the key properties of 5-[[6-[1'-[(3R)-1-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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 1250.45 g/mol, XLogP of 6.91, 13 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-[1'-[(3R)-1-[5-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]pyrazine-2-carbonyl]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 162482464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).