2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione

C35H32N6O7 — CID 135173958

About 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione (PubChem CID 135173958) has the molecular formula C35H32N6O7 and a molecular weight of 648.68 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione
• PubChem CID: 135173958
• Molecular Formula: C35H32N6O7
• Molecular Weight: 648.68 g/mol
• Exact Mass: 648.23
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(OCCOCCCn4cc(-c5ccc6c(c5)CC/C6=N\O)c(-c5ccncc5)n4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C35H32N6O7/c42-31-9-8-30(33(43)37-31)41-34(44)26-6-4-24(19-27(26)35(41)45)48-17-16-47-15-1-14-40-20-28(32(38-40)21-10-12-36-13-11-21)23-2-5-25-22(18-23)3-7-29(25)39-46/h2,4-6,10-13,18-20,30,46H,1,3,7-9,14-17H2,(H,37,42,43)/b39-29+
• InChIKey: OVCXSJYZZRVTRZ-YWIBTEMISA-N
• XLogP: 3.62
• TPSA: 165.31 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	648.68
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione (CID 135173958) is 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(OCCOCCCn4cc(-c5ccc6c(c5)CC/C6=N\O)c(-c5ccncc5)n4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione?

The InChIKey is OVCXSJYZZRVTRZ-YWIBTEMISA-N. The full InChI is InChI=1S/C35H32N6O7/c42-31-9-8-30(33(43)37-31)41-34(44)26-6-4-24(19-27(26)35(41)45)48-17-16-47-15-1-14-40-20-28(32(38-40)21-10-12-36-13-11-21)23-2-5-25-22(18-23)3-7-29(25)39-46/h2,4-6,10-13,18-20,30,46H,1,3,7-9,14-17H2,(H,37,42,43)/b39-29+.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione has a molecular weight of 648.68 g/mol, XLogP of 3.62, 11 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[2-[3-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]propoxy]ethoxy]isoindole-1,3-dione is sourced from PubChem (CID 135173958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).