4-[[(7R)-8-[(5-chlorothiophen-2-yl)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;hydrochloride

C49H61Cl2N9O10S — CID 163936968

About 4-[[(7R)-8-[(5-chlorothiophen-2-yl)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;hydrochloride

4-[[(7R)-8-[(5-chlorothiophen-2-yl)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;hydrochloride (PubChem CID 163936968) has the molecular formula C49H61Cl2N9O10S and a molecular weight of 1039.05 g/mol. Its IUPAC name is 4-[[(7R)-8-[(5-chlorothiophen-2-yl)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;hydrochloride.

Molecular Properties

• Compound Name: 4-[[(7R)-8-[(5-chlorothiophen-2-yl)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;hydrochloride
• PubChem CID: 163936968
• Molecular Formula: C49H61Cl2N9O10S
• Molecular Weight: 1039.05 g/mol
• Exact Mass: 1037.36
• IUPAC Name: 4-[[(7R)-8-[(5-chlorothiophen-2-yl)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;hydrochloride
• SMILES: CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)NCCOCCOCCOCCNCCCCC(=O)Nc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3OC)nc2N1Cc1ccc(Cl)s1.Cl
• InChI: InChI=1S/C49H60ClN9O10S.ClH/c1-4-37-49(65)57(2)39-28-53-42(55-45(39)58(37)29-33-13-15-41(50)70-33)27-31-11-12-32(26-40(31)66-3)46(62)52-19-21-68-23-25-69-24-22-67-20-18-51-17-6-5-10-43(60)54-36-9-7-8-34-35(36)30-59(48(34)64)38-14-16-44(61)56-47(38)63;/h7-9,11-13,15,26,28,37-38,51H,4-6,10,14,16-25,27,29-30H2,1-3H3,(H,52,62)(H,54,60)(H,56,61,63);1H/t37-,38?;/m1./s1
• InChIKey: YPVHJPWPCSWOBX-QDRVAREWSA-N
• XLogP: 4.91
• TPSA: 222.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 26
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1039.05
LogP ≤ 5	4.91
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

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-[(5-chlorothiophen-2-yl)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;hydrochloride?

The IUPAC name of 4-[[(7R)-8-[(5-chlorothiophen-2-yl)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;hydrochloride (CID 163936968) is 4-[[(7R)-8-[(5-chlorothiophen-2-yl)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;hydrochloride.

What is the SMILES notation for 4-[[(7R)-8-[(5-chlorothiophen-2-yl)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;hydrochloride?

The canonical SMILES for 4-[[(7R)-8-[(5-chlorothiophen-2-yl)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;hydrochloride is CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)NCCOCCOCCOCCNCCCCC(=O)Nc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3OC)nc2N1Cc1ccc(Cl)s1.Cl.

What is the InChIKey of 4-[[(7R)-8-[(5-chlorothiophen-2-yl)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;hydrochloride?

The InChIKey is YPVHJPWPCSWOBX-QDRVAREWSA-N. The full InChI is InChI=1S/C49H60ClN9O10S.ClH/c1-4-37-49(65)57(2)39-28-53-42(55-45(39)58(37)29-33-13-15-41(50)70-33)27-31-11-12-32(26-40(31)66-3)46(62)52-19-21-68-23-25-69-24-22-67-20-18-51-17-6-5-10-43(60)54-36-9-7-8-34-35(36)30-59(48(34)64)38-14-16-44(61)56-47(38)63;/h7-9,11-13,15,26,28,37-38,51H,4-6,10,14,16-25,27,29-30H2,1-3H3,(H,52,62)(H,54,60)(H,56,61,63);1H/t37-,38?;/m1./s1.

What are the key properties of 4-[[(7R)-8-[(5-chlorothiophen-2-yl)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;hydrochloride?

4-[[(7R)-8-[(5-chlorothiophen-2-yl)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;hydrochloride has a molecular weight of 1039.05 g/mol, XLogP of 4.91, 26 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(7R)-8-[(5-chlorothiophen-2-yl)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;hydrochloride is sourced from PubChem (CID 163936968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).