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

C42H45FN10O4 — CID 146410843

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]imidazolidin-1-yl]piperidin-1-yl]isoindole-1,3-dione (PubChem CID 146410843) has the molecular formula C42H45FN10O4 and a molecular weight of 772.89 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]imidazolidin-1-yl]piperidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]imidazolidin-1-yl]piperidin-1-yl]isoindole-1,3-dione
• PubChem CID: 146410843
• Molecular Formula: C42H45FN10O4
• Molecular Weight: 772.89 g/mol
• Exact Mass: 772.36
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]imidazolidin-1-yl]piperidin-1-yl]isoindole-1,3-dione
• SMILES: [H]/N=C(/C=C\C1NC=C(c2cccc(N3CCN(C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)n2)N1)N1CCC[C@@H]1c1cccc(F)c1
• InChI: InChI=1S/C42H45FN10O4/c43-27-5-1-4-26(22-27)34-7-3-17-52(34)36(44)12-13-37-45-24-33(46-37)32-6-2-8-38(47-32)51-21-20-50(25-51)28-15-18-49(19-16-28)29-9-10-30-31(23-29)42(57)53(41(30)56)35-11-14-39(54)48-40(35)55/h1-2,4-6,8-10,12-13,22-24,28,34-35,37,44-46H,3,7,11,14-21,25H2,(H,48,54,55)/b13-12-,44-36-/t34-,35?,37?/m1/s1
• InChIKey: SZFBVBGBNKDBJU-ISNKCLKRSA-N
• XLogP: 3.56
• TPSA: 157.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	772.89
LogP ≤ 5	3.56
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

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

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]imidazolidin-1-yl]piperidin-1-yl]isoindole-1,3-dione (CID 146410843) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]imidazolidin-1-yl]piperidin-1-yl]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]imidazolidin-1-yl]piperidin-1-yl]isoindole-1,3-dione is [H]/N=C(/C=C\C1NC=C(c2cccc(N3CCN(C4CCN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)C3)n2)N1)N1CCC[C@@H]1c1cccc(F)c1.

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

The InChIKey is SZFBVBGBNKDBJU-ISNKCLKRSA-N. The full InChI is InChI=1S/C42H45FN10O4/c43-27-5-1-4-26(22-27)34-7-3-17-52(34)36(44)12-13-37-45-24-33(46-37)32-6-2-8-38(47-32)51-21-20-50(25-51)28-15-18-49(19-16-28)29-9-10-30-31(23-29)42(57)53(41(30)56)35-11-14-39(54)48-40(35)55/h1-2,4-6,8-10,12-13,22-24,28,34-35,37,44-46H,3,7,11,14-21,25H2,(H,48,54,55)/b13-12-,44-36-/t34-,35?,37?/m1/s1.

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

2-(2,6-dioxopiperidin-3-yl)-5-[4-[3-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]imidazolidin-1-yl]piperidin-1-yl]isoindole-1,3-dione has a molecular weight of 772.89 g/mol, XLogP of 3.56, 8 rotatable bonds, 4 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-[3-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]imidazolidin-1-yl]piperidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 146410843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).