2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione

C48H52FN9O7 — CID 163450410

About 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione (PubChem CID 163450410) has the molecular formula C48H52FN9O7 and a molecular weight of 886.00 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione
• PubChem CID: 163450410
• Molecular Formula: C48H52FN9O7
• Molecular Weight: 886.00 g/mol
• Exact Mass: 885.40
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione
• SMILES: O=C(CCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CN1CCN(c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)cn34)n2)CC1
• InChI: InChI=1S/C48H52FN9O7/c49-33-7-1-6-32(28-33)39-12-4-19-56(39)34-14-16-42-51-29-41(57(42)30-34)37-10-3-13-43(52-37)55-22-20-54(21-23-55)31-35(59)8-5-24-64-26-27-65-25-18-50-38-11-2-9-36-45(38)48(63)58(47(36)62)40-15-17-44(60)53-46(40)61/h1-3,6-7,9-11,13-14,16,28-30,39-40,50H,4-5,8,12,15,17-27,31H2,(H,53,60,61)/t39-,40?/m1/s1
• InChIKey: BGCPRPAGMDOUOX-IPVUVHESSA-N
• XLogP: 4.89
• TPSA: 171.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 18
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	886.00
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione (CID 163450410) is 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione is O=C(CCCOCCOCCNc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O)CN1CCN(c2cccc(-c3cnc4ccc(N5CCC[C@@H]5c5cccc(F)c5)cn34)n2)CC1.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione?

The InChIKey is BGCPRPAGMDOUOX-IPVUVHESSA-N. The full InChI is InChI=1S/C48H52FN9O7/c49-33-7-1-6-32(28-33)39-12-4-19-56(39)34-14-16-42-51-29-41(57(42)30-34)37-10-3-13-43(52-37)55-22-20-54(21-23-55)31-35(59)8-5-24-64-26-27-65-25-18-50-38-11-2-9-36-45(38)48(63)58(47(36)62)40-15-17-44(60)53-46(40)61/h1-3,6-7,9-11,13-14,16,28-30,39-40,50H,4-5,8,12,15,17-27,31H2,(H,53,60,61)/t39-,40?/m1/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione has a molecular weight of 886.00 g/mol, XLogP of 4.89, 18 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-4-[2-[2-[5-[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]piperazin-1-yl]-4-oxopentoxy]ethoxy]ethylamino]isoindole-1,3-dione is sourced from PubChem (CID 163450410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).