4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide

C26H29N5O5 — CID 177175099

About 4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide

4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide (PubChem CID 177175099) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is 4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide
• PubChem CID: 177175099
• Molecular Formula: C26H29N5O5
• Molecular Weight: 491.55 g/mol
• Exact Mass: 491.22
• IUPAC Name: 4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide
• SMILES: CNC(=O)c1ccc(CN2CCC(O)(c3ccc4c(n3)CN(C3CCC(=O)NC3=O)C4=O)CC2)cc1
• InChI: InChI=1S/C26H29N5O5/c1-27-23(33)17-4-2-16(3-5-17)14-30-12-10-26(36,11-13-30)21-8-6-18-19(28-21)15-31(25(18)35)20-7-9-22(32)29-24(20)34/h2-6,8,20,36H,7,9-15H2,1H3,(H,27,33)(H,29,32,34)
• InChIKey: KOLSRCRWTKUHQQ-UHFFFAOYSA-N
• XLogP: 0.69
• TPSA: 131.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.55
LogP ≤ 5	0.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide?

The IUPAC name of 4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide (CID 177175099) is 4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide.

What is the SMILES notation for 4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide?

The canonical SMILES for 4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN2CCC(O)(c3ccc4c(n3)CN(C3CCC(=O)NC3=O)C4=O)CC2)cc1.

What is the InChIKey of 4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide?

The InChIKey is KOLSRCRWTKUHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5/c1-27-23(33)17-4-2-16(3-5-17)14-30-12-10-26(36,11-13-30)21-8-6-18-19(28-21)15-31(25(18)35)20-7-9-22(32)29-24(20)34/h2-6,8,20,36H,7,9-15H2,1H3,(H,27,33)(H,29,32,34).

What are the key properties of 4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide?

4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide has a molecular weight of 491.55 g/mol, XLogP of 0.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[4-[6-(2,6-dioxopiperidin-3-yl)-5-oxo-7H-pyrrolo[3,4-b]pyridin-2-yl]-4-hydroxypiperidin-1-yl]methyl]-N-methylbenzamide is sourced from PubChem (CID 177175099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).