2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione

C57H63F3N8O7 — CID 171748475

About 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione (PubChem CID 171748475) has the molecular formula C57H63F3N8O7 and a molecular weight of 1029.17 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione.

Molecular Properties

• Compound Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
• PubChem CID: 171748475
• Molecular Formula: C57H63F3N8O7
• Molecular Weight: 1029.17 g/mol
• Exact Mass: 1028.48
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione
• SMILES: CCc1c(F)ccc2cc(O)cc(-c3c(F)cc4c(N5CCC[C@@](C)(O)C5)nc(OCC5(CN6CCC7(CC6)CC(CN6CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC6)C7)CC5)nc4c3F)c12
• InChI: InChI=1S/C57H63F3N8O7/c1-3-37-42(58)8-5-34-23-36(69)25-40(46(34)37)47-43(59)26-41-49(48(47)60)62-54(63-50(41)67-16-4-11-55(2,74)30-67)75-32-57(12-13-57)31-65-17-14-56(15-18-65)27-33(28-56)29-64-19-21-66(22-20-64)35-6-7-38-39(24-35)53(73)68(52(38)72)44-9-10-45(70)61-51(44)71/h5-8,23-26,33,44,69,74H,3-4,9-22,27-32H2,1-2H3,(H,61,70,71)/t44?,55-/m1/s1
• InChIKey: TWJKCPFSZMFBOR-RLLDEPPTSA-N
• XLogP: 7.36
• TPSA: 171.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 12
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.17
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione (CID 171748475) is 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione.

What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione is CCc1c(F)ccc2cc(O)cc(-c3c(F)cc4c(N5CCC[C@@](C)(O)C5)nc(OCC5(CN6CCC7(CC6)CC(CN6CCN(c8ccc9c(c8)C(=O)N(C8CCC(=O)NC8=O)C9=O)CC6)C7)CC5)nc4c3F)c12.

What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

The InChIKey is TWJKCPFSZMFBOR-RLLDEPPTSA-N. The full InChI is InChI=1S/C57H63F3N8O7/c1-3-37-42(58)8-5-34-23-36(69)25-40(46(34)37)47-43(59)26-41-49(48(47)60)62-54(63-50(41)67-16-4-11-55(2,74)30-67)75-32-57(12-13-57)31-65-17-14-56(15-18-65)27-33(28-56)29-64-19-21-66(22-20-64)35-6-7-38-39(24-35)53(73)68(52(38)72)44-9-10-45(70)61-51(44)71/h5-8,23-26,33,44,69,74H,3-4,9-22,27-32H2,1-2H3,(H,61,70,71)/t44?,55-/m1/s1.

What are the key properties of 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione?

2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione has a molecular weight of 1029.17 g/mol, XLogP of 7.36, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dioxopiperidin-3-yl)-5-[4-[[7-[[1-[[7-(8-ethyl-7-fluoro-3-hydroxynaphthalen-1-yl)-6,8-difluoro-4-[(3R)-3-hydroxy-3-methylpiperidin-1-yl]quinazolin-2-yl]oxymethyl]cyclopropyl]methyl]-7-azaspiro[3.5]nonan-2-yl]methyl]piperazin-1-yl]isoindole-1,3-dione is sourced from PubChem (CID 171748475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).