7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

C48H59N9O10 — CID 159646973

About 7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide

7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (PubChem CID 159646973) has the molecular formula C48H59N9O10 and a molecular weight of 922.05 g/mol. Its IUPAC name is 7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• PubChem CID: 159646973
• Molecular Formula: C48H59N9O10
• Molecular Weight: 922.05 g/mol
• Exact Mass: 921.44
• IUPAC Name: 7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide
• SMILES: CN(C)C(=O)c1cc2cnc(Cc3ccc(N4CCN(CCOCCOCCOCCCC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n1C1CCCC1
• InChI: InChI=1S/C48H59N9O10/c1-53(2)47(62)39-27-32-29-50-41(51-44(32)56(39)34-7-3-4-8-34)28-33-12-13-35(30-49-33)55-18-16-54(17-19-55)20-22-65-24-26-66-25-23-64-21-6-9-36(58)31-67-40-11-5-10-37-43(40)48(63)57(46(37)61)38-14-15-42(59)52-45(38)60/h5,10-13,27,29-30,34,38H,3-4,6-9,14-26,28,31H2,1-2H3,(H,52,59,60)
• InChIKey: MRBRIUNPTNFNON-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 207.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 22
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	922.05
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

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 7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The IUPAC name of 7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide (CID 159646973) is 7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide.

What is the SMILES notation for 7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The canonical SMILES for 7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is CN(C)C(=O)c1cc2cnc(Cc3ccc(N4CCN(CCOCCOCCOCCCC(=O)COc5cccc6c5C(=O)N(C5CCC(=O)NC5=O)C6=O)CC4)cn3)nc2n1C1CCCC1.

What is the InChIKey of 7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

The InChIKey is MRBRIUNPTNFNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H59N9O10/c1-53(2)47(62)39-27-32-29-50-41(51-44(32)56(39)34-7-3-4-8-34)28-33-12-13-35(30-49-33)55-18-16-54(17-19-55)20-22-65-24-26-66-25-23-64-21-6-9-36(58)31-67-40-11-5-10-37-43(40)48(63)57(46(37)61)38-14-15-42(59)52-45(38)60/h5,10-13,27,29-30,34,38H,3-4,6-9,14-26,28,31H2,1-2H3,(H,52,59,60).

What are the key properties of 7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide?

7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 922.05 g/mol, XLogP of 3.24, 22 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-2-[[5-[4-[2-[2-[2-[5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-4-oxopentoxy]ethoxy]ethoxy]ethyl]piperazin-1-yl]-2-pyridinyl]methyl]-N,N-dimethylpyrrolo[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 159646973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).