N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide

C151H164N30O21 — CID 167660779

About N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide

N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide (PubChem CID 167660779) has the molecular formula C151H164N30O21 and a molecular weight of 2735.16 g/mol. Its IUPAC name is N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide.

Molecular Properties

• Compound Name: N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide
• PubChem CID: 167660779
• Molecular Formula: C151H164N30O21
• Molecular Weight: 2735.16 g/mol
• Exact Mass: 2733.27
• IUPAC Name: N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide
• SMILES: Nc1nccc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCC(N2CCN(CCCCCCNC(=O)CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCC(N2CCN(CCCCCCNC(=O)COc3cc4c5c(cccc5c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCC(N2CCN(CCOCCNC(=O)COc3cc4c5c(cccc5c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1
• InChI: InChI=1S/C52H56N10O7.C50H52N10O8.C49H56N10O6/c53-48-46-47(33-13-19-38(20-14-33)69-37-10-4-3-5-11-37)58-62(49(46)56-32-55-48)36-17-15-35(16-18-36)60-27-25-59(26-28-60)24-7-2-1-6-23-54-44(64)31-68-39-29-34-9-8-12-40-45(34)41(30-39)52(67)61(51(40)66)42-21-22-43(63)57-50(42)65;51-46-44-45(31-9-15-36(16-10-31)68-35-6-2-1-3-7-35)56-60(47(44)54-30-53-46)34-13-11-33(12-14-34)58-22-20-57(21-23-58)24-26-66-25-19-52-42(62)29-67-37-27-32-5-4-8-38-43(32)39(28-37)50(65)59(49(38)64)40-17-18-41(61)55-48(40)63;50-46-44-39(23-25-52-46)59(55-45(44)32-13-19-36(20-14-32)65-35-9-4-3-5-10-35)34-17-15-33(16-18-34)57-29-27-56(28-30-57)26-7-2-1-6-24-51-42(61)31-53-38-12-8-11-37-43(38)49(64)58(48(37)63)40-21-22-41(60)54-47(40)62/h3-5,8-14,19-20,29-30,32,35-36,42H,1-2,6-7,15-18,21-28,31H2,(H,54,64)(H2,53,55,56)(H,57,63,65);1-10,15-16,27-28,30,33-34,40H,11-14,17-26,29H2,(H,52,62)(H2,51,53,54)(H,55,61,63);3-5,8-14,19-20,23,25,33-34,40,53H,1-2,6-7,15-18,21-22,24,26-31H2,(H2,50,52)(H,51,61)(H,54,60,62)
• InChIKey: RXTIXZAZVOKPAB-UHFFFAOYSA-N
• XLogP: 16.78
• TPSA: 620.77 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 42
• Rotatable Bonds: 47
• Heavy Atoms: 202
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2735.16
LogP ≤ 5	16.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide?

The IUPAC name of N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide (CID 167660779) is N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide.

What is the SMILES notation for N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide?

The canonical SMILES for N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide is Nc1nccc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCC(N2CCN(CCCCCCNC(=O)CNc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCC(N2CCN(CCCCCCNC(=O)COc3cc4c5c(cccc5c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1.Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CCC(N2CCN(CCOCCNC(=O)COc3cc4c5c(cccc5c3)C(=O)N(C3CCC(=O)NC3=O)C4=O)CC2)CC1.

What is the InChIKey of N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide?

The InChIKey is RXTIXZAZVOKPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H56N10O7.C50H52N10O8.C49H56N10O6/c53-48-46-47(33-13-19-38(20-14-33)69-37-10-4-3-5-11-37)58-62(49(46)56-32-55-48)36-17-15-35(16-18-36)60-27-25-59(26-28-60)24-7-2-1-6-23-54-44(64)31-68-39-29-34-9-8-12-40-45(34)41(30-39)52(67)61(51(40)66)42-21-22-43(63)57-50(42)65;51-46-44-45(31-9-15-36(16-10-31)68-35-6-2-1-3-7-35)56-60(47(44)54-30-53-46)34-13-11-33(12-14-34)58-22-20-57(21-23-58)24-26-66-25-19-52-42(62)29-67-37-27-32-5-4-8-38-43(32)39(28-37)50(65)59(49(38)64)40-17-18-41(61)55-48(40)63;50-46-44-39(23-25-52-46)59(55-45(44)32-13-19-36(20-14-32)65-35-9-4-3-5-10-35)34-17-15-33(16-18-34)57-29-27-56(28-30-57)26-7-2-1-6-24-51-42(61)31-53-38-12-8-11-37-43(38)49(64)58(48(37)63)40-21-22-41(60)54-47(40)62/h3-5,8-14,19-20,29-30,32,35-36,42H,1-2,6-7,15-18,21-28,31H2,(H,54,64)(H2,53,55,56)(H,57,63,65);1-10,15-16,27-28,30,33-34,40H,11-14,17-26,29H2,(H,52,62)(H2,51,53,54)(H,55,61,63);3-5,8-14,19-20,23,25,33-34,40,53H,1-2,6-7,15-18,21-22,24,26-31H2,(H2,50,52)(H,51,61)(H,54,60,62).

What are the key properties of N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide?

N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide has a molecular weight of 2735.16 g/mol, XLogP of 16.78, 47 rotatable bonds, 10 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[4,3-c]pyridin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetamide;N-[2-[2-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]ethoxy]ethyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide;N-[6-[4-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]cyclohexyl]piperazin-1-yl]hexyl]-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxobenzo[de]isoquinolin-5-yl]oxyacetamide is sourced from PubChem (CID 167660779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).