4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C47H57ClN6O8 — CID 160686183

About 4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 160686183) has the molecular formula C47H57ClN6O8 and a molecular weight of 869.46 g/mol. Its IUPAC name is 4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 160686183
• Molecular Formula: C47H57ClN6O8
• Molecular Weight: 869.46 g/mol
• Exact Mass: 868.39
• IUPAC Name: 4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](CCCCC(=O)CCCCCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c4ccc(Cl)cc4)CC3)c21
• InChI: InChI=1S/C47H57ClN6O8/c1-30-28-37(56)42-40(30)43(50-29-49-42)52-23-25-53(26-24-52)45(59)34(31-17-19-32(48)20-18-31)14-9-8-13-33(55)12-7-5-3-2-4-6-10-27-62-38-16-11-15-35-41(38)47(61)54(46(35)60)36-21-22-39(57)51-44(36)58/h11,15-20,29-30,34,36-37,56H,2-10,12-14,21-28H2,1H3,(H,51,57,58)/t30-,34-,36?,37-/m1/s1
• InChIKey: ROUGPPKENDTSGT-KXYDMMOISA-N
• XLogP: 6.83
• TPSA: 179.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	869.46
LogP ≤ 5	6.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

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 4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 160686183) is 4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](CCCCC(=O)CCCCCCCCCOc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)c4ccc(Cl)cc4)CC3)c21.

What is the InChIKey of 4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is ROUGPPKENDTSGT-KXYDMMOISA-N. The full InChI is InChI=1S/C47H57ClN6O8/c1-30-28-37(56)42-40(30)43(50-29-49-42)52-23-25-53(26-24-52)45(59)34(31-17-19-32(48)20-18-31)14-9-8-13-33(55)12-7-5-3-2-4-6-10-27-62-38-16-11-15-35-41(38)47(61)54(46(35)60)36-21-22-39(57)51-44(36)58/h11,15-20,29-30,34,36-37,56H,2-10,12-14,21-28H2,1H3,(H,51,57,58)/t30-,34-,36?,37-/m1/s1.

What are the key properties of 4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 869.46 g/mol, XLogP of 6.83, 20 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(15R)-15-(4-chlorophenyl)-16-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-10,16-dioxohexadecoxy]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 160686183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).