2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]-4-phenylisoindole-1,3-dione

C46H38N8O5 — CID 146567363

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]-4-phenylisoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]-4-phenylisoindole-1,3-dione (PubChem CID 146567363) has the molecular formula C46H38N8O5 and a molecular weight of 782.86 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]-4-phenylisoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]-4-phenylisoindole-1,3-dione
• PubChem CID: 146567363
• Molecular Formula: C46H38N8O5
• Molecular Weight: 782.86 g/mol
• Exact Mass: 782.30
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]-4-phenylisoindole-1,3-dione
• SMILES: O=C1CCC(N2C(=O)c3ccc(N4CCN(c5ccc(-n6cc(-c7ccc8c(c7)CC/C8=N\O)c(-c7ccncc7)n6)cc5)CC4)c(-c4ccccc4)c3C2=O)C(=O)N1
• InChI: InChI=1S/C46H38N8O5/c55-40-17-16-39(44(56)48-40)54-45(57)35-13-15-38(41(42(35)46(54)58)28-4-2-1-3-5-28)52-24-22-51(23-25-52)32-8-10-33(11-9-32)53-27-36(43(49-53)29-18-20-47-21-19-29)31-6-12-34-30(26-31)7-14-37(34)50-59/h1-6,8-13,15,18-21,26-27,39,59H,7,14,16-17,22-25H2,(H,48,55,56)/b50-37+
• InChIKey: IEPAKWGMZMFOKX-LACWYXCGSA-N
• XLogP: 6.12
• TPSA: 153.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	782.86
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', '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-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]-4-phenylisoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]-4-phenylisoindole-1,3-dione (CID 146567363) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]-4-phenylisoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]-4-phenylisoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccc(N4CCN(c5ccc(-n6cc(-c7ccc8c(c7)CC/C8=N\O)c(-c7ccncc7)n6)cc5)CC4)c(-c4ccccc4)c3C2=O)C(=O)N1.

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

The InChIKey is IEPAKWGMZMFOKX-LACWYXCGSA-N. The full InChI is InChI=1S/C46H38N8O5/c55-40-17-16-39(44(56)48-40)54-45(57)35-13-15-38(41(42(35)46(54)58)28-4-2-1-3-5-28)52-24-22-51(23-25-52)32-8-10-33(11-9-32)53-27-36(43(49-53)29-18-20-47-21-19-29)31-6-12-34-30(26-31)7-14-37(34)50-59/h1-6,8-13,15,18-21,26-27,39,59H,7,14,16-17,22-25H2,(H,48,55,56)/b50-37+.

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]-4-phenylisoindole-1,3-dione has a molecular weight of 782.86 g/mol, XLogP of 6.12, 7 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-[4-[4-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]phenyl]piperazin-1-yl]-4-phenylisoindole-1,3-dione is sourced from PubChem (CID 146567363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).