1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide

C77H91N21O13S2 — CID 165055883

About 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide

1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide (PubChem CID 165055883) has the molecular formula C77H91N21O13S2 and a molecular weight of 1582.84 g/mol. Its IUPAC name is 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
• PubChem CID: 165055883
• Molecular Formula: C77H91N21O13S2
• Molecular Weight: 1582.84 g/mol
• Exact Mass: 1581.65
• IUPAC Name: 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide
• SMILES: Cc1cc(Cc2nc(N3CCCC(NC(=O)C4CCNC4)C3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCCC(NC(=O)C4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)C3)cnc2C(N)=O)sn1.O=CC1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
• InChI: InChI=1S/C38H45N11O6S.C20H27N7O2S.C19H19N3O5/c1-21-15-31(56-45-21)44-34-32(33(39)51)40-17-29(42-34)48-11-2-3-24(20-48)41-35(52)23-10-12-46(19-23)18-22-8-13-47(14-9-22)25-4-5-26-27(16-25)38(55)49(37(26)54)28-6-7-30(50)43-36(28)53;1-12-7-15(30-26-12)8-16-18(19(21)28)23-10-17(25-16)27-6-2-3-14(11-27)24-20(29)13-4-5-22-9-13;23-10-11-5-7-21(8-6-11)12-1-2-13-14(9-12)19(27)22(18(13)26)15-3-4-16(24)20-17(15)25/h4-5,15-17,22-24,28H,2-3,6-14,18-20H2,1H3,(H2,39,51)(H,41,52)(H,42,44)(H,43,50,53);7,10,13-14,22H,2-6,8-9,11H2,1H3,(H2,21,28)(H,24,29);1-2,9-11,15H,3-8H2,(H,20,24,25)
• InChIKey: QKFUSGMHSNEMQB-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 446.15 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 19
• Heavy Atoms: 113
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1582.84
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide?

The IUPAC name of 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide (CID 165055883) is 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide.

What is the SMILES notation for 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide?

The canonical SMILES for 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide is Cc1cc(Cc2nc(N3CCCC(NC(=O)C4CCNC4)C3)cnc2C(N)=O)sn1.Cc1cc(Nc2nc(N3CCCC(NC(=O)C4CCN(CC5CCN(c6ccc7c(c6)C(=O)N(C6CCC(=O)NC6=O)C7=O)CC5)C4)C3)cnc2C(N)=O)sn1.O=CC1CCN(c2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.

What is the InChIKey of 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide?

The InChIKey is QKFUSGMHSNEMQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H45N11O6S.C20H27N7O2S.C19H19N3O5/c1-21-15-31(56-45-21)44-34-32(33(39)51)40-17-29(42-34)48-11-2-3-24(20-48)41-35(52)23-10-12-46(19-23)18-22-8-13-47(14-9-22)25-4-5-26-27(16-25)38(55)49(37(26)54)28-6-7-30(50)43-36(28)53;1-12-7-15(30-26-12)8-16-18(19(21)28)23-10-17(25-16)27-6-2-3-14(11-27)24-20(29)13-4-5-22-9-13;23-10-11-5-7-21(8-6-11)12-1-2-13-14(9-12)19(27)22(18(13)26)15-3-4-16(24)20-17(15)25/h4-5,15-17,22-24,28H,2-3,6-14,18-20H2,1H3,(H2,39,51)(H,41,52)(H,42,44)(H,43,50,53);7,10,13-14,22H,2-6,8-9,11H2,1H3,(H2,21,28)(H,24,29);1-2,9-11,15H,3-8H2,(H,20,24,25).

What are the key properties of 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide?

1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide has a molecular weight of 1582.84 g/mol, XLogP of 2.94, 19 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbaldehyde;5-[3-[[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]pyrrolidine-3-carbonyl]amino]piperidin-1-yl]-3-[(3-methyl-1,2-thiazol-5-yl)amino]pyrazine-2-carboxamide;3-[(3-methyl-1,2-thiazol-5-yl)methyl]-5-[3-(pyrrolidine-3-carbonylamino)piperidin-1-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 165055883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).