2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione

C43H45FN10O4 — CID 146410963

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione (PubChem CID 146410963) has the molecular formula C43H45FN10O4 and a molecular weight of 784.90 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione
• PubChem CID: 146410963
• Molecular Formula: C43H45FN10O4
• Molecular Weight: 784.90 g/mol
• Exact Mass: 784.36
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione
• SMILES: [H]/N=C(/C=C\c1ncc(-c2cccc(N3CCN(C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)n2)[nH]1)N1CCC[C@@H]1c1cccc(F)c1
• InChI: InChI=1S/C43H45FN10O4/c44-28-5-1-4-27(24-28)35-7-3-17-53(35)37(45)12-13-38-46-26-34(47-38)33-6-2-8-39(48-33)52-22-20-51(21-23-52)29-15-18-50(19-16-29)30-9-10-31-32(25-30)43(58)54(42(31)57)36-11-14-40(55)49-41(36)56/h1-2,4-6,8-10,12-13,24-26,29,35-36,45H,3,7,11,14-23H2,(H,46,47)(H,49,55,56)/b13-12-,45-37-/t35-,36?/m1/s1
• InChIKey: MNUJJZUKCYULDR-QEDBGPOTSA-N
• XLogP: 4.63
• TPSA: 161.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	784.90
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione (CID 146410963) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione is [H]/N=C(/C=C\c1ncc(-c2cccc(N3CCN(C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)CC3)n2)[nH]1)N1CCC[C@@H]1c1cccc(F)c1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione?

The InChIKey is MNUJJZUKCYULDR-QEDBGPOTSA-N. The full InChI is InChI=1S/C43H45FN10O4/c44-28-5-1-4-27(24-28)35-7-3-17-53(35)37(45)12-13-38-46-26-34(47-38)33-6-2-8-39(48-33)52-22-20-51(21-23-52)29-15-18-50(19-16-29)30-9-10-31-32(25-30)43(58)54(42(31)57)36-11-14-40(55)49-41(36)56/h1-2,4-6,8-10,12-13,24-26,29,35-36,45H,3,7,11,14-23H2,(H,46,47)(H,49,55,56)/b13-12-,45-37-/t35-,36?/m1/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 784.90 g/mol, XLogP of 4.63, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-1H-imidazol-5-yl]-2-pyridinyl]piperazin-1-yl]piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 146410963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).