5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride

C49H63ClN8O8 — CID 163801573

About 5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride

5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride (PubChem CID 163801573) has the molecular formula C49H63ClN8O8 and a molecular weight of 927.54 g/mol. Its IUPAC name is 5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride.

Molecular Properties

• Compound Name: 5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride
• PubChem CID: 163801573
• Molecular Formula: C49H63ClN8O8
• Molecular Weight: 927.54 g/mol
• Exact Mass: 926.45
• IUPAC Name: 5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride
• SMILES: CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)CC4CCN(CCOCCCCC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1C1CCCC1.Cl
• InChI: InChI=1S/C49H62N8O8.ClH/c1-4-38-49(63)54(2)40-29-50-43(52-46(40)57(38)34-10-5-6-11-34)28-33-16-15-32(27-42(33)64-3)41(58)26-31-19-21-55(22-20-31)23-25-65-24-8-7-14-44(59)51-37-13-9-12-35-36(37)30-56(48(35)62)39-17-18-45(60)53-47(39)61;/h9,12-13,15-16,27,29,31,34,38-39H,4-8,10-11,14,17-26,28,30H2,1-3H3,(H,51,59)(H,53,60,61);1H/t38-,39?;/m1./s1
• InChIKey: FWXZZANWTQNYBN-TYXSCTEVSA-N
• XLogP: 5.87
• TPSA: 183.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 18
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	927.54
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

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 5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride?

The IUPAC name of 5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride (CID 163801573) is 5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride.

What is the SMILES notation for 5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride?

The canonical SMILES for 5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride is CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)CC4CCN(CCOCCCCC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)CC4)cc3OC)nc2N1C1CCCC1.Cl.

What is the InChIKey of 5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride?

The InChIKey is FWXZZANWTQNYBN-TYXSCTEVSA-N. The full InChI is InChI=1S/C49H62N8O8.ClH/c1-4-38-49(63)54(2)40-29-50-43(52-46(40)57(38)34-10-5-6-11-34)28-33-16-15-32(27-42(33)64-3)41(58)26-31-19-21-55(22-20-31)23-25-65-24-8-7-14-44(59)51-37-13-9-12-35-36(37)30-56(48(35)62)39-17-18-45(60)53-47(39)61;/h9,12-13,15-16,27,29,31,34,38-39H,4-8,10-11,14,17-26,28,30H2,1-3H3,(H,51,59)(H,53,60,61);1H/t38-,39?;/m1./s1.

What are the key properties of 5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride?

5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride has a molecular weight of 927.54 g/mol, XLogP of 5.87, 18 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[2-[4-[2-[4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-3-methoxyphenyl]-2-oxoethyl]piperidin-1-yl]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]pentanamide;hydrochloride is sourced from PubChem (CID 163801573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).