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

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

4-[[(7R)-8-[(5-chlorothiophen-2-yl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]-3-methoxybenzamide;hydrochloride (PubChem CID 163858248) has the molecular formula C41H44Cl2N8O7S and a molecular weight of 863.82 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-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]-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-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]-3-methoxybenzamide;hydrochloride
PubChem CID	163858248
Molecular Formula	C41H44Cl2N8O7S
Molecular Weight	863.82 g/mol
Exact Mass	862.24
IUPAC Name	4-[[(7R)-8-[(5-chlorothiophen-2-yl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]-3-methoxybenzamide;hydrochloride
SMILES	CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)NCCCCC(=O)Nc4cccc5c4CN(C4CCC(=O)NC4=O)C5=O)cc3OC)nc2N1Cc1ccc(Cl)s1.Cl
InChI	InChI=1S/C41H43ClN8O7S.ClH/c1-4-29-41(56)48(2)31-20-44-34(46-37(31)49(29)21-25-13-15-33(42)58-25)19-23-11-12-24(18-32(23)57-3)38(53)43-17-6-5-10-35(51)45-28-9-7-8-26-27(28)22-50(40(26)55)30-14-16-36(52)47-39(30)54;/h7-9,11-13,15,18,20,29-30H,4-6,10,14,16-17,19,21-22H2,1-3H3,(H,43,53)(H,45,51)(H,47,52,54);1H/t29-,30?;/m1./s1
InChIKey	ORIJAGOXFSANRM-MNYVEQDMSA-N
XLogP	5.27
TPSA	183.24 Å²
H-Bond Donors	3
H-Bond Acceptors	11
Rotatable Bonds	14
Heavy Atoms	59
Complexity	—

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	863.82
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Related Compounds

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-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]-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-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]-3-methoxybenzamide;hydrochloride (CID 163858248) is 4-[[(7R)-8-[(5-chlorothiophen-2-yl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]-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-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]-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-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]-3-methoxybenzamide;hydrochloride is CC[C@@H]1C(=O)N(C)c2cnc(Cc3ccc(C(=O)NCCCCC(=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-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]-3-methoxybenzamide;hydrochloride?

The InChIKey is ORIJAGOXFSANRM-MNYVEQDMSA-N. The full InChI is InChI=1S/C41H43ClN8O7S.ClH/c1-4-29-41(56)48(2)31-20-44-34(46-37(31)49(29)21-25-13-15-33(42)58-25)19-23-11-12-24(18-32(23)57-3)38(53)43-17-6-5-10-35(51)45-28-9-7-8-26-27(28)22-50(40(26)55)30-14-16-36(52)47-39(30)54;/h7-9,11-13,15,18,20,29-30H,4-6,10,14,16-17,19,21-22H2,1-3H3,(H,43,53)(H,45,51)(H,47,52,54);1H/t29-,30?;/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-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]-3-methoxybenzamide;hydrochloride?

4-[[(7R)-8-[(5-chlorothiophen-2-yl)methyl]-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]methyl]-N-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]-3-methoxybenzamide;hydrochloride has a molecular weight of 863.82 g/mol, XLogP of 5.27, 14 rotatable bonds, 3 hydrogen bond donors, and 11 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-[5-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-5-oxopentyl]-3-methoxybenzamide;hydrochloride is sourced from PubChem (CID 163858248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).