4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide

C47H64N10O10 — CID 166715055

About 4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide

4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide (PubChem CID 166715055) has the molecular formula C47H64N10O10 and a molecular weight of 929.09 g/mol. Its IUPAC name is 4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: 4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide
• PubChem CID: 166715055
• Molecular Formula: C47H64N10O10
• Molecular Weight: 929.09 g/mol
• Exact Mass: 928.48
• IUPAC Name: 4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide
• SMILES: CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCNCCOCCOCCOCCC(=O)Nc4cccc(C=O)c4CN(C)C4CCC(=O)NC4=O)cc3OC)nc2N1C1CCCC1
• InChI: InChI=1S/C47H64N10O10/c1-5-37-46(63)56(3)39-28-50-47(54-43(39)57(37)33-10-6-7-11-33)52-36-14-13-31(27-40(36)64-4)44(61)49-19-18-48-20-22-66-24-26-67-25-23-65-21-17-42(60)51-35-12-8-9-32(30-58)34(35)29-55(2)38-15-16-41(59)53-45(38)62/h8-9,12-14,27-28,30,33,37-38,48H,5-7,10-11,15-26,29H2,1-4H3,(H,49,61)(H,51,60)(H,50,52,54)(H,53,59,62)
• InChIKey: DFYDYHNXUYZKBN-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 234.99 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 26
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	929.09
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide?

The IUPAC name of 4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide (CID 166715055) is 4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide.

What is the SMILES notation for 4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide?

The canonical SMILES for 4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide is CCC1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCNCCOCCOCCOCCC(=O)Nc4cccc(C=O)c4CN(C)C4CCC(=O)NC4=O)cc3OC)nc2N1C1CCCC1.

What is the InChIKey of 4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide?

The InChIKey is DFYDYHNXUYZKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H64N10O10/c1-5-37-46(63)56(3)39-28-50-47(54-43(39)57(37)33-10-6-7-11-33)52-36-14-13-31(27-40(36)64-4)44(61)49-19-18-48-20-22-66-24-26-67-25-23-65-21-17-42(60)51-35-12-8-9-32(30-58)34(35)29-55(2)38-15-16-41(59)53-45(38)62/h8-9,12-14,27-28,30,33,37-38,48H,5-7,10-11,15-26,29H2,1-4H3,(H,49,61)(H,51,60)(H,50,52,54)(H,53,59,62).

What are the key properties of 4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide?

4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide has a molecular weight of 929.09 g/mol, XLogP of 3.18, 26 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl)amino]-N-[2-[2-[2-[2-[3-[2-[[(2,6-dioxopiperidin-3-yl)-methylamino]methyl]-3-formylanilino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 166715055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).