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

C66H77FN12O8 — CID 166843923

IUPAC5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]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
SMILESCc1cc(F)c(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCN(C(=O)C5CCC(Nc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)CC3)cc3ncn(C(C)C)c23)cc1C(=O)NC(C)C
InChIInChI=1S/C66H77FN12O8/c1-36(2)69-59(81)47-32-52(50(67)27-38(47)5)72-58-57-53(68-35-77(57)37(3)4)33-51(71-58)40-11-16-49-55(28-40)78(45-30-44(31-45)74-22-7-6-8-23-74)65(87)66(49)20-25-75(26-21-66)62(84)41-19-24-76(34-41)61(83)39-9-12-42(13-10-39)70-43-14-15-46-48(29-43)64(86)79(63(46)85)54-17-18-56(80)73-60(54)82/h11,14-16,27-29,32-33,35-37,39,41-42,44-45,54,70H,6-10,12-13,17-26,30-31,34H2,1-5H3,(H,69,81)(H,71,72)(H,73,80,82)/t39?,41-,42?,44?,45?,54?/m1/s1
InChIKeyJRIQKOKXQCOUMR-NGSBSHLVSA-N
MW1185.42 g/mol
LogP8.15
Rot. Bonds13

About 5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]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]amino]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 166843923) has the molecular formula C66H77FN12O8 and a molecular weight of 1185.42 g/mol. Its IUPAC name is 5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]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 Name5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]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 CID166843923
Molecular FormulaC66H77FN12O8
Molecular Weight1185.42 g/mol
Exact Mass1184.60
IUPAC Name5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]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
SMILESCc1cc(F)c(Nc2nc(-c3ccc4c(c3)N(C3CC(N5CCCCC5)C3)C(=O)C43CCN(C(=O)[C@@H]4CCN(C(=O)C5CCC(Nc6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)CC3)cc3ncn(C(C)C)c23)cc1C(=O)NC(C)C
InChIInChI=1S/C66H77FN12O8/c1-36(2)69-59(81)47-32-52(50(67)27-38(47)5)72-58-57-53(68-35-77(57)37(3)4)33-51(71-58)40-11-16-49-55(28-40)78(45-30-44(31-45)74-22-7-6-8-23-74)65(87)66(49)20-25-75(26-21-66)62(84)41-19-24-76(34-41)61(83)39-9-12-42(13-10-39)70-43-14-15-46-48(29-43)64(86)79(63(46)85)54-17-18-56(80)73-60(54)82/h11,14-16,27-29,32-33,35-37,39,41-42,44-45,54,70H,6-10,12-13,17-26,30-31,34H2,1-5H3,(H,69,81)(H,71,72)(H,73,80,82)/t39?,41-,42?,44?,45?,54?/m1/s1
InChIKeyJRIQKOKXQCOUMR-NGSBSHLVSA-N
XLogP8.15
TPSA231.59 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001185.42
LogP ≤ 58.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]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 with MolForge

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Related Compounds

5-[[6-[1'-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]piperidine-4-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 166831839
5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]piperidine-1-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 166831876
5-[[6-[1'-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]-4-methylpiperidine-4-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 162482390
5-[[6-[1'-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]-methylamino]benzoyl]-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 162482407
5-[[6-[1'-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]pyrrolidin-3-yl]methyl]azetidine-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 162482374
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
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
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]-3-methylbenzoyl]piperazin-1-yl]isoindole-1,3-dione
CID 168882202
2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[4-[2-fluoro-4-methyl-5-(3-methylbutanoyl)anilino]-3-propan-2-ylimidazo[4,5-c]pyridin-6-yl]-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-1'-carbonyl]benzoyl]-3-methylpiperazin-1-yl]isoindole-1,3-dione
CID 163421614
5-[[6-[1-acetyl-2'-oxo-1'-(3-piperidin-1-ylcyclobutyl)spiro[azetidine-3,3'-indole]-6'-yl]-3-propan-2-ylimidazo[4,5-c]pyridin-4-yl]amino]-4-fluoro-2-methyl-N-propan-2-ylbenzamide
CID 149090024
4-fluoro-2-methyl-5-[[6-[1'-[4-[methyl(piperidin-4-yl)amino]benzoyl]-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]-N-propan-2-ylbenzamide
CID 175871788
4-fluoro-5-[[3-(1-iodoethyl)-6-[1'-(oxetan-3-yl)-2-oxo-1-(3-piperidin-1-ylcyclobutyl)spiro[indole-3,4'-piperidine]-6-yl]imidazo[4,5-c]pyridin-4-yl]amino]-2-methyl-N-propan-2-ylbenzamide
CID 163930517

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]amino]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]amino]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 166843923) is 5-[[6-[1'-[(3R)-1-[4-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]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]amino]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]amino]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(Nc6ccc7c(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]amino]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 JRIQKOKXQCOUMR-NGSBSHLVSA-N. The full InChI is InChI=1S/C66H77FN12O8/c1-36(2)69-59(81)47-32-52(50(67)27-38(47)5)72-58-57-53(68-35-77(57)37(3)4)33-51(71-58)40-11-16-49-55(28-40)78(45-30-44(31-45)74-22-7-6-8-23-74)65(87)66(49)20-25-75(26-21-66)62(84)41-19-24-76(34-41)61(83)39-9-12-42(13-10-39)70-43-14-15-46-48(29-43)64(86)79(63(46)85)54-17-18-56(80)73-60(54)82/h11,14-16,27-29,32-33,35-37,39,41-42,44-45,54,70H,6-10,12-13,17-26,30-31,34H2,1-5H3,(H,69,81)(H,71,72)(H,73,80,82)/t39?,41-,42?,44?,45?,54?/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]amino]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]amino]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 1185.42 g/mol, XLogP of 8.15, 13 rotatable bonds, 4 hydrogen bond donors, and 14 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]amino]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 166843923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).