2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione

C46H44N8O6 — CID 135147141

About 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione (PubChem CID 135147141) has the molecular formula C46H44N8O6 and a molecular weight of 804.91 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione
• PubChem CID: 135147141
• Molecular Formula: C46H44N8O6
• Molecular Weight: 804.91 g/mol
• Exact Mass: 804.34
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CC(C5CCN(CCOc6ccc(-n7cc(-c8ccc9c(c8)CCC9=NO)c(-c8ccncc8)n7)cc6)CC5)C4)cc3C2=O)C(=O)N1
• InChI: InChI=1S/C46H44N8O6/c55-42-12-11-41(44(56)48-42)54-45(57)37-9-5-34(24-38(37)46(54)58)52-25-32(26-52)28-15-19-51(20-16-28)21-22-60-35-6-3-33(4-7-35)53-27-39(43(49-53)29-13-17-47-18-14-29)31-1-8-36-30(23-31)2-10-40(36)50-59/h1,3-9,13-14,17-18,23-24,27-28,32,41,59H,2,10-12,15-16,19-22,25-26H2,(H,48,55,56)
• InChIKey: TZWILTJTYVBYDA-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 162.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	804.91
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'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-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione (CID 135147141) is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(N4CC(C5CCN(CCOc6ccc(-n7cc(-c8ccc9c(c8)CCC9=NO)c(-c8ccncc8)n7)cc6)CC5)C4)cc3C2=O)C(=O)N1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione?

The InChIKey is TZWILTJTYVBYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H44N8O6/c55-42-12-11-41(44(56)48-42)54-45(57)37-9-5-34(24-38(37)46(54)58)52-25-32(26-52)28-15-19-51(20-16-28)21-22-60-35-6-3-33(4-7-35)53-27-39(43(49-53)29-13-17-47-18-14-29)31-1-8-36-30(23-31)2-10-40(36)50-59/h1,3-9,13-14,17-18,23-24,27-28,32,41,59H,2,10-12,15-16,19-22,25-26H2,(H,48,55,56).

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione has a molecular weight of 804.91 g/mol, XLogP of 5.35, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[1-[2-[4-[4-(1-hydroxyimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]phenoxy]ethyl]piperidin-4-yl]azetidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 135147141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).