2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde

C30H33N7O5 — CID 155219122

About 2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde

2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde (PubChem CID 155219122) has the molecular formula C30H33N7O5 and a molecular weight of 571.64 g/mol. Its IUPAC name is 2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde.

Molecular Properties

• Compound Name: 2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde
• PubChem CID: 155219122
• Molecular Formula: C30H33N7O5
• Molecular Weight: 571.64 g/mol
• Exact Mass: 571.25
• IUPAC Name: 2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde
• SMILES: O=Cc1cnc(N2CCC(CN3CC4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4C3)CC2)nc1
• InChI: InChI=1S/C30H33N7O5/c38-17-19-10-31-30(32-11-19)35-7-5-18(6-8-35)12-34-13-20-15-36(16-21(20)14-34)22-1-2-23-24(9-22)29(42)37(28(23)41)25-3-4-26(39)33-27(25)40/h1-2,9-11,17-18,20-21,25H,3-8,12-16H2,(H,33,39,40)
• InChIKey: CWAUTAPSYJTOGK-UHFFFAOYSA-N
• XLogP: 0.97
• TPSA: 136.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.64
LogP ≤ 5	0.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

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 2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde?

The IUPAC name of 2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde (CID 155219122) is 2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde.

What is the SMILES notation for 2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde?

The canonical SMILES for 2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde is O=Cc1cnc(N2CCC(CN3CC4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4C3)CC2)nc1.

What is the InChIKey of 2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde?

The InChIKey is CWAUTAPSYJTOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O5/c38-17-19-10-31-30(32-11-19)35-7-5-18(6-8-35)12-34-13-20-15-36(16-21(20)14-34)22-1-2-23-24(9-22)29(42)37(28(23)41)25-3-4-26(39)33-27(25)40/h1-2,9-11,17-18,20-21,25H,3-8,12-16H2,(H,33,39,40).

What are the key properties of 2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde?

2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde has a molecular weight of 571.64 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methyl]piperidin-1-yl]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 155219122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).