2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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

C99H126ClN17O17 — CID 163514226

About 2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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

2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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 163514226) has the molecular formula C99H126ClN17O17 and a molecular weight of 1861.65 g/mol. Its IUPAC name is 2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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: 2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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: 163514226
• Molecular Formula: C99H126ClN17O17
• Molecular Weight: 1861.65 g/mol
• Exact Mass: 1859.92
• IUPAC Name: 2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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.CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)CC4CCN(CCOCCN(CC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)C(C)=O)CC4)cc3OC)nc2N1C1CCCC1.Cl
• InChI: InChI=1S/C50H63N9O9.C49H62N8O8.ClH/c1-5-39-50(66)55(3)41-28-51-44(53-47(41)59(39)35-9-6-7-10-35)27-34-14-13-33(26-43(34)67-4)42(61)25-32-17-19-56(20-18-32)21-23-68-24-22-57(31(2)60)30-46(63)52-38-12-8-11-36-37(38)29-58(49(36)65)40-15-16-45(62)54-48(40)64;1-4-38-49(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;/h8,11-14,26,28,32,35,39-40H,5-7,9-10,15-25,27,29-30H2,1-4H3,(H,52,63)(H,54,62,64);9,12-13,15-16,27,29,31,34,38-39H,4-8,10-11,14,17-26,28,30H2,1-3H3,(H,51,59)(H,53,60,61);1H/t39-,40?;38-,39?;/m11./s1
• InChIKey: HTSHNBKZFKWVPU-LXOCZJBFSA-N
• XLogP: 10.00
• TPSA: 387.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 25
• Rotatable Bonds: 36
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1861.65
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	25

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 2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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 2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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 163514226) is 2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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 2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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 2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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.CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)CC4CCN(CCOCCN(CC(=O)Nc5cccc6c5CN(C5CCC(=O)NC5=O)C6=O)C(C)=O)CC4)cc3OC)nc2N1C1CCCC1.Cl.

What is the InChIKey of 2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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 HTSHNBKZFKWVPU-LXOCZJBFSA-N. The full InChI is InChI=1S/C50H63N9O9.C49H62N8O8.ClH/c1-5-39-50(66)55(3)41-28-51-44(53-47(41)59(39)35-9-6-7-10-35)27-34-14-13-33(26-43(34)67-4)42(61)25-32-17-19-56(20-18-32)21-23-68-24-22-57(31(2)60)30-46(63)52-38-12-8-11-36-37(38)29-58(49(36)65)40-15-16-45(62)54-48(40)64;1-4-38-49(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;/h8,11-14,26,28,32,35,39-40H,5-7,9-10,15-25,27,29-30H2,1-4H3,(H,52,63)(H,54,62,64);9,12-13,15-16,27,29,31,34,38-39H,4-8,10-11,14,17-26,28,30H2,1-3H3,(H,51,59)(H,53,60,61);1H/t39-,40?;38-,39?;/m11./s1.

What are the key properties of 2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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?

2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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 1861.65 g/mol, XLogP of 10.00, 36 rotatable bonds, 4 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[acetyl-[2-[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]ethyl]amino]-N-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]acetamide;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 163514226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).