(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione

C₉₆H₈₇N₂₁O₂₄ — CID 161157827

About (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione

(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 161157827) has the molecular formula C₉₆H₈₇N₂₁O₂₄ and a molecular weight of 1918.87 g/mol. Its IUPAC name is (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 161157827
• Molecular Formula: C₉₆H₈₇N₂₁O₂₄
• Molecular Weight: 1918.87 g/mol
• Exact Mass: 1917.62
• IUPAC Name: (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5c(OC(C)C)noc5C)cnc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C5(C)NC(=O)NC5=O)cnc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(CNC(=O)N(C)C)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn4cccnc4n3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C27H25N5O7.C26H26N4O6.C24H20N6O7.C19H16N6O4/c1-13(2)37-23-21(14(3)39-31-23)17-7-16-8-20(38-22(16)28-10-17)27(25(34)29-26(35)30-27)12-32-11-15-5-6-18(36-4)9-19(15)24(32)33;1-29(2)25(34)27-12-15-4-7-20-17(8-15)9-21(36-20)26(11-22(31)28-24(26)33)14-30-13-16-5-6-18(35-3)10-19(16)23(30)32;1-23(19(32)26-21(34)28-23)13-5-12-6-16(37-17(12)25-8-13)24(20(33)27-22(35)29-24)10-30-9-11-3-4-14(36-2)7-15(11)18(30)31;1-29-12-4-3-11-8-25(15(26)13(11)7-12)10-19(16(27)22-18(28)23-19)14-9-24-6-2-5-20-17(24)21-14/h5-10,13H,11-12H2,1-4H3,(H2,29,30,34,35);4-10H,11-14H2,1-3H3,(H,27,34)(H,28,31,33);3-8H,9-10H2,1-2H3,(H2,26,28,32,34)(H2,27,29,33,35);2-7,9H,8,10H2,1H3,(H2,22,23,27,28)/t27-;26-;23?,24-;19-/m0100/s1
• InChIKey: UPNJFIAKOVEZDQ-HBKLPJAZSA-N
• XLogP: 6.44
• TPSA: 560.12 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 22
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1918.87
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 161157827) is (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(-c5c(OC(C)C)noc5C)cnc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C5(C)NC(=O)NC5=O)cnc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(CNC(=O)N(C)C)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cn4cccnc4n3)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione?

The InChIKey is UPNJFIAKOVEZDQ-HBKLPJAZSA-N. The full InChI is InChI=1S/C27H25N5O7.C26H26N4O6.C24H20N6O7.C19H16N6O4/c1-13(2)37-23-21(14(3)39-31-23)17-7-16-8-20(38-22(16)28-10-17)27(25(34)29-26(35)30-27)12-32-11-15-5-6-18(36-4)9-19(15)24(32)33;1-29(2)25(34)27-12-15-4-7-20-17(8-15)9-21(36-20)26(11-22(31)28-24(26)33)14-30-13-16-5-6-18(35-3)10-19(16)23(30)32;1-23(19(32)26-21(34)28-23)13-5-12-6-16(37-17(12)25-8-13)24(20(33)27-22(35)29-24)10-30-9-11-3-4-14(36-2)7-15(11)18(30)31;1-29-12-4-3-11-8-25(15(26)13(11)7-12)10-19(16(27)22-18(28)23-19)14-9-24-6-2-5-20-17(24)21-14/h5-10,13H,11-12H2,1-4H3,(H2,29,30,34,35);4-10H,11-14H2,1-3H3,(H,27,34)(H,28,31,33);3-8H,9-10H2,1-2H3,(H2,26,28,32,34)(H2,27,29,33,35);2-7,9H,8,10H2,1H3,(H2,22,23,27,28)/t27-;26-;23?,24-;19-/m0100/s1.

What are the key properties of (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione?

(5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 1918.87 g/mol, XLogP of 6.44, 22 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-imidazo[1,2-a]pyrimidin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;5-[2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[2,3-b]pyridin-5-yl]-5-methylimidazolidine-2,4-dione;3-[[2-[(3R)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]-1-benzofuran-5-yl]methyl]-1,1-dimethylurea;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[5-(5-methyl-3-propan-2-yloxy-1,2-oxazol-4-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 161157827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 161157827 — identifiers, structure, computed properties (public domain)

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