4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide

C46H53BrN8O9 — CID 163962929

About 4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide

4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide (PubChem CID 163962929) has the molecular formula C46H53BrN8O9 and a molecular weight of 941.88 g/mol. Its IUPAC name is 4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide.

Molecular Properties

• Compound Name: 4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide
• PubChem CID: 163962929
• Molecular Formula: C46H53BrN8O9
• Molecular Weight: 941.88 g/mol
• Exact Mass: 940.31
• IUPAC Name: 4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide
• SMILES: CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)NCCOCCOCCOCCNc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3OC)nc2N1Cc1ccc(Br)cc1
• InChI: InChI=1S/C46H53BrN8O9/c1-4-36-46(60)53(2)38-26-50-40(51-42(38)54(36)27-29-8-12-32(47)13-9-29)25-30-10-11-31(24-39(30)61-3)43(57)49-17-19-63-21-23-64-22-20-62-18-16-48-35-7-5-6-33-34(35)28-55(45(33)59)37-14-15-41(56)52-44(37)58/h5-13,24,26,36-37,48H,4,14-23,25,27-28H2,1-3H3,(H,49,57)(H,52,56,58)/t36-,37?/m1/s1
• InChIKey: SJCKSFGFDBUHLP-RKROREJRSA-N
• XLogP: 4.25
• TPSA: 193.86 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 21
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	941.88
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide?

The IUPAC name of 4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide (CID 163962929) is 4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide.

What is the SMILES notation for 4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide?

The canonical SMILES for 4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide is CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)NCCOCCOCCOCCNc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3OC)nc2N1Cc1ccc(Br)cc1.

What is the InChIKey of 4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide?

The InChIKey is SJCKSFGFDBUHLP-RKROREJRSA-N. The full InChI is InChI=1S/C46H53BrN8O9/c1-4-36-46(60)53(2)38-26-50-40(51-42(38)54(36)27-29-8-12-32(47)13-9-29)25-30-10-11-31(24-39(30)61-3)43(57)49-17-19-63-21-23-64-22-20-62-18-16-48-35-7-5-6-33-34(35)28-55(45(33)59)37-14-15-41(56)52-44(37)58/h5-13,24,26,36-37,48H,4,14-23,25,27-28H2,1-3H3,(H,49,57)(H,52,56,58)/t36-,37?/m1/s1.

What are the key properties of 4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide?

4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide has a molecular weight of 941.88 g/mol, XLogP of 4.25, 21 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 163962929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).