(5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione

C100H84F3N23O17S — CID 159903470

About (5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione

(5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione (PubChem CID 159903470) has the molecular formula C100H84F3N23O17S and a molecular weight of 1968.98 g/mol. Its IUPAC name is (5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione
• PubChem CID: 159903470
• Molecular Formula: C100H84F3N23O17S
• Molecular Weight: 1968.98 g/mol
• Exact Mass: 1967.61
• IUPAC Name: (5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(-c5nccs5)cn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cn(C)nc4C(F)(F)F)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nc5ncnc(N)c5n4C)cc3)NC(=O)NC1=O)C2.COc1cnc(-c2ccc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)nc1
• InChI: InChI=1S/C27H21N5O4S.C25H22N8O4.C24H20F3N5O4.C24H21N5O5/c1-36-20-8-4-18-14-32(24(33)21(18)12-20)15-27(25(34)30-26(35)31-27)19-6-2-16(3-7-19)22-9-5-17(13-29-22)23-28-10-11-37-23;1-32-18-19(26)27-12-28-20(18)29-21(32)13-3-6-15(7-4-13)25(23(35)30-24(36)31-25)11-33-10-14-5-8-16(37-2)9-17(14)22(33)34;1-31-11-18(19(30-31)24(25,26)27)13-3-6-15(7-4-13)23(21(34)28-22(35)29-23)12-32-10-14-5-8-16(36-2)9-17(14)20(32)33;1-33-17-8-5-15-12-29(21(30)19(15)9-17)13-24(22(31)27-23(32)28-24)16-6-3-14(4-7-16)20-25-10-18(34-2)11-26-20/h2-13H,14-15H2,1H3,(H2,30,31,34,35);3-9,12H,10-11H2,1-2H3,(H2,26,27,28)(H2,30,31,35,36);3-9,11H,10,12H2,1-2H3,(H2,28,29,34,35);3-11H,12-13H2,1-2H3,(H2,27,28,31,32)/t27-;25-;23-;24-/m0000/s1
• InChIKey: NWGJYHVNKGYELB-BUEKVSHNSA-N
• XLogP: 9.54
• TPSA: 499.19 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 29
• Rotatable Bonds: 22
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1968.98
LogP ≤ 5	9.54
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione (CID 159903470) is (5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccc(-c5nccs5)cn4)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4cn(C)nc4C(F)(F)F)cc3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4nc5ncnc(N)c5n4C)cc3)NC(=O)NC1=O)C2.COc1cnc(-c2ccc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)nc1.

What is the InChIKey of (5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

The InChIKey is NWGJYHVNKGYELB-BUEKVSHNSA-N. The full InChI is InChI=1S/C27H21N5O4S.C25H22N8O4.C24H20F3N5O4.C24H21N5O5/c1-36-20-8-4-18-14-32(24(33)21(18)12-20)15-27(25(34)30-26(35)31-27)19-6-2-16(3-7-19)22-9-5-17(13-29-22)23-28-10-11-37-23;1-32-18-19(26)27-12-28-20(18)29-21(32)13-3-6-15(7-4-13)25(23(35)30-24(36)31-25)11-33-10-14-5-8-16(37-2)9-17(14)22(33)34;1-31-11-18(19(30-31)24(25,26)27)13-3-6-15(7-4-13)23(21(34)28-22(35)29-23)12-32-10-14-5-8-16(36-2)9-17(14)20(32)33;1-33-17-8-5-15-12-29(21(30)19(15)9-17)13-24(22(31)27-23(32)28-24)16-6-3-14(4-7-16)20-25-10-18(34-2)11-26-20/h2-13H,14-15H2,1H3,(H2,30,31,34,35);3-9,12H,10-11H2,1-2H3,(H2,26,27,28)(H2,30,31,35,36);3-9,11H,10,12H2,1-2H3,(H2,28,29,34,35);3-11H,12-13H2,1-2H3,(H2,27,28,31,32)/t27-;25-;23-;24-/m0000/s1.

What are the key properties of (5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione?

(5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione has a molecular weight of 1968.98 g/mol, XLogP of 9.54, 22 rotatable bonds, 9 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-[4-(6-amino-7-methylpurin-8-yl)phenyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(5-methoxypyrimidin-2-yl)phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-[5-(1,3-thiazol-2-yl)-2-pyridinyl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 159903470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).