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

C51H62BrN9O10 — CID 163744048

About 4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]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-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide (PubChem CID 163744048) has the molecular formula C51H62BrN9O10 and a molecular weight of 1041.01 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-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]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-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide
• PubChem CID: 163744048
• Molecular Formula: C51H62BrN9O10
• Molecular Weight: 1041.01 g/mol
• Exact Mass: 1039.38
• IUPAC Name: 4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide
• SMILES: CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)NCCOCCOCCOCCNCCCCC(=O)Nc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3OC)nc2N1Cc1ccc(Br)cc1
• InChI: InChI=1S/C51H62BrN9O10/c1-4-40-51(67)59(2)42-30-55-44(57-47(42)60(40)31-33-11-15-36(52)16-12-33)29-34-13-14-35(28-43(34)68-3)48(64)54-21-23-70-25-27-71-26-24-69-22-20-53-19-6-5-10-45(62)56-39-9-7-8-37-38(39)32-61(50(37)66)41-17-18-46(63)58-49(41)65/h7-9,11-16,28,30,40-41,53H,4-6,10,17-27,29,31-32H2,1-3H3,(H,54,64)(H,56,62)(H,58,63,65)/t40-,41?/m1/s1
• InChIKey: LKGVSSCVOLAUHL-AXHXVYJZSA-N
• XLogP: 4.54
• TPSA: 222.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 26
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1041.01
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

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-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]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-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide (CID 163744048) is 4-[[(7R)-8-[(4-bromophenyl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[2-[2-[2-[2-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]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-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]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-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide is CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)NCCOCCOCCOCCNCCCCC(=O)Nc4cccc5c4CN(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-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide?

The InChIKey is LKGVSSCVOLAUHL-AXHXVYJZSA-N. The full InChI is InChI=1S/C51H62BrN9O10/c1-4-40-51(67)59(2)42-30-55-44(57-47(42)60(40)31-33-11-15-36(52)16-12-33)29-34-13-14-35(28-43(34)68-3)48(64)54-21-23-70-25-27-71-26-24-69-22-20-53-19-6-5-10-45(62)56-39-9-7-8-37-38(39)32-61(50(37)66)41-17-18-46(63)58-49(41)65/h7-9,11-16,28,30,40-41,53H,4-6,10,17-27,29,31-32H2,1-3H3,(H,54,64)(H,56,62)(H,58,63,65)/t40-,41?/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-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]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-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide has a molecular weight of 1041.01 g/mol, XLogP of 4.54, 26 rotatable bonds, 4 hydrogen bond donors, and 14 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-[[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]amino]ethoxy]ethoxy]ethoxy]ethyl]-3-methoxybenzamide is sourced from PubChem (CID 163744048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).