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

C41H43FN10O4 — CID 146410565

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

2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]isoindole-1,3-dione (PubChem CID 146410565) has the molecular formula C41H43FN10O4 and a molecular weight of 758.86 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]isoindole-1,3-dione
• PubChem CID: 146410565
• Molecular Formula: C41H43FN10O4
• Molecular Weight: 758.86 g/mol
• Exact Mass: 758.35
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]isoindole-1,3-dione
• SMILES: [H]/N=C(/C=C\C1NC=C(c2cccc(N3CCN(C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)n2)N1)N1CCC[C@@H]1c1cccc(F)c1
• InChI: InChI=1S/C41H43FN10O4/c42-26-5-1-4-25(20-26)33-7-3-15-51(33)35(43)12-13-36-44-22-32(45-36)31-6-2-8-37(46-31)49-18-16-48(17-19-49)28-23-50(24-28)27-9-10-29-30(21-27)41(56)52(40(29)55)34-11-14-38(53)47-39(34)54/h1-2,4-6,8-10,12-13,20-22,28,33-34,36,43-45H,3,7,11,14-19,23-24H2,(H,47,53,54)/b13-12-,43-35-/t33-,34?,36?/m1/s1
• InChIKey: VNPOQWHHBPCUGJ-NCKUVJGZSA-N
• XLogP: 2.82
• TPSA: 157.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	758.86
LogP ≤ 5	2.82
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-[3-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]isoindole-1,3-dione (CID 146410565) is 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]isoindole-1,3-dione.

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

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]isoindole-1,3-dione is [H]/N=C(/C=C\C1NC=C(c2cccc(N3CCN(C4CN(c5ccc6c(c5)C(=O)N(C5CCC(=O)NC5=O)C6=O)C4)CC3)n2)N1)N1CCC[C@@H]1c1cccc(F)c1.

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

The InChIKey is VNPOQWHHBPCUGJ-NCKUVJGZSA-N. The full InChI is InChI=1S/C41H43FN10O4/c42-26-5-1-4-25(20-26)33-7-3-15-51(33)35(43)12-13-36-44-22-32(45-36)31-6-2-8-37(46-31)49-18-16-48(17-19-49)28-23-50(24-28)27-9-10-29-30(21-27)41(56)52(40(29)55)34-11-14-38(53)47-39(34)54/h1-2,4-6,8-10,12-13,20-22,28,33-34,36,43-45H,3,7,11,14-19,23-24H2,(H,47,53,54)/b13-12-,43-35-/t33-,34?,36?/m1/s1.

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

2-(2,6-dioxopiperidin-3-yl)-5-[3-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]isoindole-1,3-dione has a molecular weight of 758.86 g/mol, XLogP of 2.82, 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-[3-[4-[6-[2-[(Z)-3-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-iminoprop-1-enyl]-2,3-dihydro-1H-imidazol-4-yl]-2-pyridinyl]piperazin-1-yl]azetidin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 146410565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).