2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide

C28H37N7O9 — CID 156528344

About 2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide

2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide (PubChem CID 156528344) has the molecular formula C28H37N7O9 and a molecular weight of 615.64 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide
• PubChem CID: 156528344
• Molecular Formula: C28H37N7O9
• Molecular Weight: 615.64 g/mol
• Exact Mass: 615.27
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide
• SMILES: CN(Cc1cn[nH]c1)C(=O)CNc1ccc2c(c1C(=O)NCCOCCOCCOCO)C(=O)N(C1CCC(=O)NC1=O)C2
• InChI: InChI=1S/C28H37N7O9/c1-34(15-18-12-31-32-13-18)23(38)14-30-20-3-2-19-16-35(21-4-5-22(37)33-26(21)39)28(41)24(19)25(20)27(40)29-6-7-42-8-9-43-10-11-44-17-36/h2-3,12-13,21,30,36H,4-11,14-17H2,1H3,(H,29,40)(H,31,32)(H,33,37,39)
• InChIKey: ZFWVXDLZTPHDFE-UHFFFAOYSA-N
• XLogP: -1.03
• TPSA: 204.52 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.64
LogP ≤ 5	-1.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide (CID 156528344) is 2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide is CN(Cc1cn[nH]c1)C(=O)CNc1ccc2c(c1C(=O)NCCOCCOCCOCO)C(=O)N(C1CCC(=O)NC1=O)C2.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide?

The InChIKey is ZFWVXDLZTPHDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O9/c1-34(15-18-12-31-32-13-18)23(38)14-30-20-3-2-19-16-35(21-4-5-22(37)33-26(21)39)28(41)24(19)25(20)27(40)29-6-7-42-8-9-43-10-11-44-17-36/h2-3,12-13,21,30,36H,4-11,14-17H2,1H3,(H,29,40)(H,31,32)(H,33,37,39).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide?

2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide has a molecular weight of 615.64 g/mol, XLogP of -1.03, 17 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-N-[2-[2-[2-(hydroxymethoxy)ethoxy]ethoxy]ethyl]-5-[[2-[methyl(1H-pyrazol-4-ylmethyl)amino]-2-oxoethyl]amino]-3-oxo-1H-isoindole-4-carboxamide is sourced from PubChem (CID 156528344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).