lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide

C141H185ClF6LiN27O31 — CID 161495129

About lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide

lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide (PubChem CID 161495129) has the molecular formula C141H185ClF6LiN27O31 and a molecular weight of 2910.57 g/mol. Its IUPAC name is lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide.

Molecular Properties

• Compound Name: lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide
• PubChem CID: 161495129
• Molecular Formula: C141H185ClF6LiN27O31
• Molecular Weight: 2910.57 g/mol
• Exact Mass: 2908.35
• IUPAC Name: lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide
• SMILES: C.C.C.C.CC(C)(C)O.CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3OC)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)O)cc3OC)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(C)=O)cc3OC)nc2N1C1CCCC1.COc1cc(C(C)=O)ccc1N.NCCCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Li+].[OH-]
• InChI: InChI=1S/C41H47N9O9.C23H29N5O3.C22H27N5O4.C20H23N3O6.C14H19ClN4O.C9H11NO2.C4H10O.2C2HF3O2.4CH4.Li.H2O/c1-4-27-39(56)48(2)29-21-44-41(47-35(29)49(27)24-10-5-6-11-24)45-26-15-14-23(20-31(26)58-3)36(53)43-19-8-7-18-42-33(52)22-59-30-13-9-12-25-34(30)40(57)50(38(25)55)28-16-17-32(51)46-37(28)54;1-5-18-22(30)27(3)19-13-24-23(26-21(19)28(18)16-8-6-7-9-16)25-17-11-10-15(14(2)29)12-20(17)31-4;1-4-16-20(28)26(2)17-12-23-22(25-19(17)27(16)14-7-5-6-8-14)24-15-10-9-13(21(29)30)11-18(15)31-3;21-10-3-1-2-5-12(24)11-29-15-7-4-6-13-17(15)20(28)23(19(13)27)14-8-9-16(25)22-18(14)26;1-3-10-13(20)18(2)11-8-16-14(15)17-12(11)19(10)9-6-4-5-7-9;1-6(11)7-3-4-8(10)9(5-7)12-2;1-4(2,3)5;2*3-2(4,5)1(6)7;;;;;;/h9,12-15,20-21,24,27-28H,4-8,10-11,16-19,22H2,1-3H3,(H,42,52)(H,43,53)(H,44,45,47)(H,46,51,54);10-13,16,18H,5-9H2,1-4H3,(H,24,25,26);9-12,14,16H,4-8H2,1-3H3,(H,29,30)(H,23,24,25);4,6-7,14H,1-3,5,8-11,21H2,(H,22,25,26);8-10H,3-7H2,1-2H3;3-5H,10H2,1-2H3;5H,1-3H3;2*(H,6,7);4*1H4;;1H2/q;;;;;;;;;;;;;+1;/p-1/t27-,28?;18-;16-;;10-;;;;;;;;;;/m111.1........../s1
• InChIKey: SGZKRORQPBKVMB-FKMKRKCLSA-M
• XLogP: 16.29
• TPSA: 779.47 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 45
• Rotatable Bonds: 40
• Heavy Atoms: 207
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2910.57
LogP ≤ 5	16.29
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	45

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide?

The IUPAC name of lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide (CID 161495129) is lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide.

What is the SMILES notation for lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide?

The canonical SMILES for lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide is C.C.C.C.CC(C)(C)O.CC[C@@H]1C(=O)N(C)c2cnc(Cl)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)NCCCCNC(=O)COc4cccc5c4C(=O)N(C4CCC(=O)NC4=O)C5=O)cc3OC)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(=O)O)cc3OC)nc2N1C1CCCC1.CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(C(C)=O)cc3OC)nc2N1C1CCCC1.COc1cc(C(C)=O)ccc1N.NCCCCCC(=O)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.[Li+].[OH-].

What is the InChIKey of lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide?

The InChIKey is SGZKRORQPBKVMB-FKMKRKCLSA-M. The full InChI is InChI=1S/C41H47N9O9.C23H29N5O3.C22H27N5O4.C20H23N3O6.C14H19ClN4O.C9H11NO2.C4H10O.2C2HF3O2.4CH4.Li.H2O/c1-4-27-39(56)48(2)29-21-44-41(47-35(29)49(27)24-10-5-6-11-24)45-26-15-14-23(20-31(26)58-3)36(53)43-19-8-7-18-42-33(52)22-59-30-13-9-12-25-34(30)40(57)50(38(25)55)28-16-17-32(51)46-37(28)54;1-5-18-22(30)27(3)19-13-24-23(26-21(19)28(18)16-8-6-7-9-16)25-17-11-10-15(14(2)29)12-20(17)31-4;1-4-16-20(28)26(2)17-12-23-22(25-19(17)27(16)14-7-5-6-8-14)24-15-10-9-13(21(29)30)11-18(15)31-3;21-10-3-1-2-5-12(24)11-29-15-7-4-6-13-17(15)20(28)23(19(13)27)14-8-9-16(25)22-18(14)26;1-3-10-13(20)18(2)11-8-16-14(15)17-12(11)19(10)9-6-4-5-7-9;1-6(11)7-3-4-8(10)9(5-7)12-2;1-4(2,3)5;2*3-2(4,5)1(6)7;;;;;;/h9,12-15,20-21,24,27-28H,4-8,10-11,16-19,22H2,1-3H3,(H,42,52)(H,43,53)(H,44,45,47)(H,46,51,54);10-13,16,18H,5-9H2,1-4H3,(H,24,25,26);9-12,14,16H,4-8H2,1-3H3,(H,29,30)(H,23,24,25);4,6-7,14H,1-3,5,8-11,21H2,(H,22,25,26);8-10H,3-7H2,1-2H3;3-5H,10H2,1-2H3;5H,1-3H3;2*(H,6,7);4*1H4;;1H2/q;;;;;;;;;;;;;+1;/p-1/t27-,28?;18-;16-;;10-;;;;;;;;;;/m111.1........../s1.

What are the key properties of lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide?

lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide has a molecular weight of 2910.57 g/mol, XLogP of 16.29, 40 rotatable bonds, 13 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(7R)-2-(4-acetyl-2-methoxyanilino)-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;1-(4-amino-3-methoxyphenyl)ethanone;4-(7-amino-2-oxoheptoxy)-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;(7R)-2-chloro-8-cyclopentyl-7-ethyl-5-methyl-7H-pteridin-6-one;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-N-[4-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]butyl]-3-methoxybenzamide;4-[[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-7H-pteridin-2-yl]amino]-3-methoxybenzoic acid;methane;2-methylpropan-2-ol;bis(2,2,2-trifluoroacetic acid);hydroxide is sourced from PubChem (CID 161495129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).