(3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide

C91H81N17O24 — CID 159216529

About (3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide

(3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide (PubChem CID 159216529) has the molecular formula C91H81N17O24 and a molecular weight of 1796.74 g/mol. Its IUPAC name is (3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide.

Molecular Properties

• Compound Name: (3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide
• PubChem CID: 159216529
• Molecular Formula: C91H81N17O24
• Molecular Weight: 1796.74 g/mol
• Exact Mass: 1795.56
• IUPAC Name: (3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(N)=O)nccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C(=O)NO)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N5CCN(C(C)=O)CC5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(C(N)=O)cc3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C27H27N5O6.C22H18N4O7.C21H17N5O6.C21H19N3O5/c1-16(33)30-7-9-31(10-8-30)23-6-5-21-20(28-23)12-22(38-21)27(13-24(34)29-26(27)36)15-32-14-17-3-4-18(37-2)11-19(17)25(32)35;1-32-14-4-2-12-9-26(19(28)15(12)8-14)10-22(20(29)23-21(30)24-22)17-7-13-6-11(18(27)25-31)3-5-16(13)33-17;1-31-11-3-2-10-8-26(18(28)12(10)6-11)9-21(19(29)24-20(30)25-21)15-7-13-14(32-15)4-5-23-16(13)17(22)27;1-29-15-7-4-13-10-24(19(27)16(13)8-15)11-21(9-17(25)23-20(21)28)14-5-2-12(3-6-14)18(22)26/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,29,34,36);2-8,31H,9-10H2,1H3,(H,25,27)(H2,23,24,29,30);2-7H,8-9H2,1H3,(H2,22,27)(H2,24,25,29,30);2-8H,9-11H2,1H3,(H2,22,26)(H,23,25,28)/t27-;22-;2*21-/m1001/s1
• InChIKey: KRDIGBUMAHZACB-VBFIDGNBSA-N
• XLogP: 4.06
• TPSA: 551.16 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1796.74
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide?

The IUPAC name of (3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide (CID 159216529) is (3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide.

What is the SMILES notation for (3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide?

The canonical SMILES for (3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(N)=O)nccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cc(C(=O)NO)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N5CCN(C(C)=O)CC5)ccc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(C(N)=O)cc3)CC(=O)NC1=O)C2.

What is the InChIKey of (3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide?

The InChIKey is KRDIGBUMAHZACB-VBFIDGNBSA-N. The full InChI is InChI=1S/C27H27N5O6.C22H18N4O7.C21H17N5O6.C21H19N3O5/c1-16(33)30-7-9-31(10-8-30)23-6-5-21-20(28-23)12-22(38-21)27(13-24(34)29-26(27)36)15-32-14-17-3-4-18(37-2)11-19(17)25(32)35;1-32-14-4-2-12-9-26(19(28)15(12)8-14)10-22(20(29)23-21(30)24-22)17-7-13-6-11(18(27)25-31)3-5-16(13)33-17;1-31-11-3-2-10-8-26(18(28)12(10)6-11)9-21(19(29)24-20(30)25-21)15-7-13-14(32-15)4-5-23-16(13)17(22)27;1-29-15-7-4-13-10-24(19(27)16(13)8-15)11-21(9-17(25)23-20(21)28)14-5-2-12(3-6-14)18(22)26/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,29,34,36);2-8,31H,9-10H2,1H3,(H,25,27)(H2,23,24,29,30);2-7H,8-9H2,1H3,(H2,22,27)(H2,24,25,29,30);2-8H,9-11H2,1H3,(H2,22,26)(H,23,25,28)/t27-;22-;2*21-/m1001/s1.

What are the key properties of (3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide?

(3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide has a molecular weight of 1796.74 g/mol, XLogP of 4.06, 20 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[5-(4-acetylpiperazin-1-yl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;N-hydroxy-2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]-1-benzofuran-5-carboxamide;2-[(4S)-4-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxoimidazolidin-4-yl]furo[3,2-c]pyridine-4-carboxamide;4-[(3S)-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-2,5-dioxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 159216529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).