N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

C123H132N34O23S3 — CID 167533569

About N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide

N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (PubChem CID 167533569) has the molecular formula C123H132N34O23S3 and a molecular weight of 2550.82 g/mol. Its IUPAC name is N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

Molecular Properties

• Compound Name: N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
• PubChem CID: 167533569
• Molecular Formula: C123H132N34O23S3
• Molecular Weight: 2550.82 g/mol
• Exact Mass: 2548.94
• IUPAC Name: N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide
• SMILES: CCC1(n2cc(-c3nc(Nc4ccc(C(=O)NCCCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)cc4)nc4[nH]ccc34)cn2)CN(S(=O)(=O)CC)C1.CCC1(n2cc(-c3nc(Nc4ccc(C(=O)NCCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)nc4[nH]ccc34)cn2)CN(S(=O)(=O)CC)C1.CCC1(n2cc(-c3nc(Nc4ccc(C(=O)NCCCNc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)nc4[nH]ccc34)cn2)CN(S(=O)(=O)CC)C1
• InChI: InChI=1S/C43H48N12O7S.C41H43N11O9S.C39H41N11O7S/c1-3-43(25-53(26-43)63(61,62)4-2)54-24-28(23-46-54)36-32-14-16-44-37(32)50-42(49-36)47-29-8-6-27(7-9-29)38(57)45-15-5-17-51-18-20-52(21-19-51)30-10-11-31-33(22-30)41(60)55(40(31)59)34-12-13-35(56)48-39(34)58;1-3-41(22-50(23-41)62(59,60)4-2)51-20-25(19-45-51)34-28-15-18-43-35(28)49-40(48-34)46-26-11-9-24(10-12-26)36(55)44-17-6-16-42-32(54)21-61-30-8-5-7-27-33(30)39(58)52(38(27)57)29-13-14-31(53)47-37(29)56;1-3-39(21-48(22-39)58(56,57)4-2)49-20-24(19-43-49)32-28-14-17-41-33(28)47-38(46-32)44-25-8-6-23(7-9-25)34(52)42-16-5-15-40-26-10-11-27-29(18-26)37(55)50(36(27)54)30-12-13-31(51)45-35(30)53/h6-11,14,16,22-24,34H,3-5,12-13,15,17-21,25-26H2,1-2H3,(H,45,57)(H,48,56,58)(H2,44,47,49,50);5,7-12,15,18-20,29H,3-4,6,13-14,16-17,21-23H2,1-2H3,(H,42,54)(H,44,55)(H,47,53,56)(H2,43,46,48,49);6-11,14,17-20,30,40H,3-5,12-13,15-16,21-22H2,1-2H3,(H,42,52)(H,45,51,53)(H2,41,44,46,47)
• InChIKey: AHDKZFSHTZGEOK-UHFFFAOYSA-N
• XLogP: 7.70
• TPSA: 721.19 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 41
• Rotatable Bonds: 44
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2550.82
LogP ≤ 5	7.70
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	41

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-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The IUPAC name of N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide (CID 167533569) is N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide.

What is the SMILES notation for N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The canonical SMILES for N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is CCC1(n2cc(-c3nc(Nc4ccc(C(=O)NCCCN5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)cc4)nc4[nH]ccc34)cn2)CN(S(=O)(=O)CC)C1.CCC1(n2cc(-c3nc(Nc4ccc(C(=O)NCCCNC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)nc4[nH]ccc34)cn2)CN(S(=O)(=O)CC)C1.CCC1(n2cc(-c3nc(Nc4ccc(C(=O)NCCCNc5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)cc4)nc4[nH]ccc34)cn2)CN(S(=O)(=O)CC)C1.

What is the InChIKey of N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

The InChIKey is AHDKZFSHTZGEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H48N12O7S.C41H43N11O9S.C39H41N11O7S/c1-3-43(25-53(26-43)63(61,62)4-2)54-24-28(23-46-54)36-32-14-16-44-37(32)50-42(49-36)47-29-8-6-27(7-9-29)38(57)45-15-5-17-51-18-20-52(21-19-51)30-10-11-31-33(22-30)41(60)55(40(31)59)34-12-13-35(56)48-39(34)58;1-3-41(22-50(23-41)62(59,60)4-2)51-20-25(19-45-51)34-28-15-18-43-35(28)49-40(48-34)46-26-11-9-24(10-12-26)36(55)44-17-6-16-42-32(54)21-61-30-8-5-7-27-33(30)39(58)52(38(27)57)29-13-14-31(53)47-37(29)56;1-3-39(21-48(22-39)58(56,57)4-2)49-20-24(19-43-49)32-28-14-17-41-33(28)47-38(46-32)44-25-8-6-23(7-9-25)34(52)42-16-5-15-40-26-10-11-27-29(18-26)37(55)50(36(27)54)30-12-13-31(51)45-35(30)53/h6-11,14,16,22-24,34H,3-5,12-13,15,17-21,25-26H2,1-2H3,(H,45,57)(H,48,56,58)(H2,44,47,49,50);5,7-12,15,18-20,29H,3-4,6,13-14,16-17,21-23H2,1-2H3,(H,42,54)(H,44,55)(H,47,53,56)(H2,43,46,48,49);6-11,14,17-20,30,40H,3-5,12-13,15-16,21-22H2,1-2H3,(H,42,52)(H,45,51,53)(H2,41,44,46,47).

What are the key properties of N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide?

N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide has a molecular weight of 2550.82 g/mol, XLogP of 7.70, 44 rotatable bonds, 14 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-[3-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]propyl]-4-[[4-[1-(3-ethyl-1-ethylsulfonylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 167533569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).