(5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione

C₁₁₆H₉₁F₃N₃₀O₂₃ — CID 158852495

About (5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione

(5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione (PubChem CID 158852495) has the molecular formula C₁₁₆H₉₁F₃N₃₀O₂₃ and a molecular weight of 2330.18 g/mol. Its IUPAC name is (5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione
• PubChem CID: 158852495
• Molecular Formula: C₁₁₆H₉₁F₃N₃₀O₂₃
• Molecular Weight: 2330.18 g/mol
• Exact Mass: 2328.68
• IUPAC Name: (5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc(-c4ccccc4)nn3-c3nccc(C(F)(F)F)n3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc(-c4ccccc4)nn3-c3ncccn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(cc(C)c[n+]4[O-])o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc5ccccc5nc4o3)NC(=O)NC1=O)C2.O=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2cn(-c3cnccn3)nn2)N1
• InChI: InChI=1S/C27H20F3N7O4.C26H21N7O4.C24H18N4O5.C21H18N4O6.C18H14N8O4/c1-41-17-8-7-16-13-36(22(38)18(16)11-17)14-26(23(39)33-25(40)34-26)21-12-19(15-5-3-2-4-6-15)35-37(21)24-31-10-9-20(32-24)27(28,29)30;1-37-18-9-8-17-14-32(22(34)19(17)12-18)15-26(23(35)29-25(36)30-26)21-13-20(16-6-3-2-4-7-16)31-33(21)24-27-10-5-11-28-24;1-32-16-7-6-14-11-28(21(29)17(14)10-16)12-24(22(30)26-23(31)27-24)19-9-15-8-13-4-2-3-5-18(13)25-20(15)33-19;1-11-5-16-15(25(29)8-11)7-17(31-16)21(19(27)22-20(28)23-21)10-24-9-12-3-4-13(30-2)6-14(12)18(24)26;27-11-2-1-10-7-25(15(28)12(10)5-11)9-18(16(29)21-17(30)22-18)13-8-26(24-23-13)14-6-19-3-4-20-14/h2-12H,13-14H2,1H3,(H2,33,34,39,40);2-13H,14-15H2,1H3,(H2,29,30,35,36);2-10H,11-12H2,1H3,(H2,26,27,30,31);3-8H,9-10H2,1-2H3,(H2,22,23,27,28);1-6,8,27H,7,9H2,(H2,21,22,29,30)/t2*26-;24-;21-;18-/m00000/s1
• InChIKey: IZQGQELWAPTUJU-SKAASAPLSA-N
• XLogP: 8.28
• TPSA: 659.50 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 24
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2330.18
LogP ≤ 5	8.28
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione (CID 158852495) is (5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc(-c4ccccc4)nn3-c3nccc(C(F)(F)F)n3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc(-c4ccccc4)nn3-c3ncccn3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(cc(C)c[n+]4[O-])o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc5ccccc5nc4o3)NC(=O)NC1=O)C2.O=C1NC(=O)[C@](CN2Cc3ccc(O)cc3C2=O)(c2cn(-c3cnccn3)nn2)N1.

What is the InChIKey of (5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione?

The InChIKey is IZQGQELWAPTUJU-SKAASAPLSA-N. The full InChI is InChI=1S/C27H20F3N7O4.C26H21N7O4.C24H18N4O5.C21H18N4O6.C18H14N8O4/c1-41-17-8-7-16-13-36(22(38)18(16)11-17)14-26(23(39)33-25(40)34-26)21-12-19(15-5-3-2-4-6-15)35-37(21)24-31-10-9-20(32-24)27(28,29)30;1-37-18-9-8-17-14-32(22(34)19(17)12-18)15-26(23(35)29-25(36)30-26)21-13-20(16-6-3-2-4-7-16)31-33(21)24-27-10-5-11-28-24;1-32-16-7-6-14-11-28(21(29)17(14)10-16)12-24(22(30)26-23(31)27-24)19-9-15-8-13-4-2-3-5-18(13)25-20(15)33-19;1-11-5-16-15(25(29)8-11)7-17(31-16)21(19(27)22-20(28)23-21)10-24-9-12-3-4-13(30-2)6-14(12)18(24)26;27-11-2-1-10-7-25(15(28)12(10)5-11)9-18(16(29)21-17(30)22-18)13-8-26(24-23-13)14-6-19-3-4-20-14/h2-12H,13-14H2,1H3,(H2,33,34,39,40);2-13H,14-15H2,1H3,(H2,29,30,35,36);2-10H,11-12H2,1H3,(H2,26,27,30,31);3-8H,9-10H2,1-2H3,(H2,22,23,27,28);1-6,8,27H,7,9H2,(H2,21,22,29,30)/t2*26-;24-;21-;18-/m00000/s1.

What are the key properties of (5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione?

(5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione has a molecular weight of 2330.18 g/mol, XLogP of 8.28, 24 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-furo[2,3-b]quinolin-2-yl-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-hydroxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(1-pyrazin-2-yltriazol-4-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-methyl-4-oxidofuro[3,2-b]pyridin-4-ium-2-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(3-phenyl-1-pyrimidin-2-ylpyrazol-5-yl)imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[3-phenyl-1-[4-(trifluoromethyl)pyrimidin-2-yl]pyrazol-5-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 158852495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158852495 — identifiers, structure, computed properties (public domain)

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