(3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

C111H111N21O25 — CID 158740652

About (3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione

(3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (PubChem CID 158740652) has the molecular formula C111H111N21O25 and a molecular weight of 2139.23 g/mol. Its IUPAC name is (3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: (3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• PubChem CID: 158740652
• Molecular Formula: C111H111N21O25
• Molecular Weight: 2139.23 g/mol
• Exact Mass: 2137.81
• IUPAC Name: (3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione
• SMILES: CCN1CCN(C(=NO)c2cnc3cc([C@]4(CN5Cc6ccc(OC)cc6C5=O)CC(=O)NC4=O)oc3c2)CC1.COCCCC(=O)c1cnc2cc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)oc2c1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(C(=NO)N5CCN(c6cnccn6)CC5)cc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(C(=O)CCCN(C)C)cc4o3)CC(=O)NC1=O)C2
• InChI: InChI=1S/C30H28N8O6.C28H30N6O6.C27H28N4O6.C26H25N3O7/c1-43-20-3-2-18-16-38(28(40)21(18)11-20)17-30(13-26(39)34-29(30)41)24-12-22-23(44-24)10-19(14-33-22)27(35-42)37-8-6-36(7-9-37)25-15-31-4-5-32-25;1-3-32-6-8-33(9-7-32)25(31-38)18-10-22-21(29-14-18)12-23(40-22)28(13-24(35)30-27(28)37)16-34-15-17-4-5-19(39-2)11-20(17)26(34)36;1-30(2)8-4-5-21(32)17-9-22-20(28-13-17)11-23(37-22)27(12-24(33)29-26(27)35)15-31-14-16-6-7-18(36-3)10-19(16)25(31)34;1-34-7-3-4-20(30)16-8-21-19(27-12-16)10-22(36-21)26(11-23(31)28-25(26)33)14-29-13-15-5-6-17(35-2)9-18(15)24(29)32/h2-5,10-12,14-15,42H,6-9,13,16-17H2,1H3,(H,34,39,41);4-5,10-12,14,38H,3,6-9,13,15-16H2,1-2H3,(H,30,35,37);6-7,9-11,13H,4-5,8,12,14-15H2,1-3H3,(H,29,33,35);5-6,8-10,12H,3-4,7,11,13-14H2,1-2H3,(H,28,31,33)/t30-;28-;27-;26-/m1111/s1
• InChIKey: IMGGBSSUKVZZBJ-PVGDPUJNSA-N
• XLogP: 7.76
• TPSA: 557.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 30
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2139.23
LogP ≤ 5	7.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

The IUPAC name of (3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione (CID 158740652) is (3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione.

What is the SMILES notation for (3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

The canonical SMILES for (3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is CCN1CCN(C(=NO)c2cnc3cc([C@]4(CN5Cc6ccc(OC)cc6C5=O)CC(=O)NC4=O)oc3c2)CC1.COCCCC(=O)c1cnc2cc([C@]3(CN4Cc5ccc(OC)cc5C4=O)CC(=O)NC3=O)oc2c1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(C(=NO)N5CCN(c6cnccn6)CC5)cc4o3)CC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(C(=O)CCCN(C)C)cc4o3)CC(=O)NC1=O)C2.

What is the InChIKey of (3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

The InChIKey is IMGGBSSUKVZZBJ-PVGDPUJNSA-N. The full InChI is InChI=1S/C30H28N8O6.C28H30N6O6.C27H28N4O6.C26H25N3O7/c1-43-20-3-2-18-16-38(28(40)21(18)11-20)17-30(13-26(39)34-29(30)41)24-12-22-23(44-24)10-19(14-33-22)27(35-42)37-8-6-36(7-9-37)25-15-31-4-5-32-25;1-3-32-6-8-33(9-7-32)25(31-38)18-10-22-21(29-14-18)12-23(40-22)28(13-24(35)30-27(28)37)16-34-15-17-4-5-19(39-2)11-20(17)26(34)36;1-30(2)8-4-5-21(32)17-9-22-20(28-13-17)11-23(37-22)27(12-24(33)29-26(27)35)15-31-14-16-6-7-18(36-3)10-19(16)25(31)34;1-34-7-3-4-20(30)16-8-21-19(27-12-16)10-22(36-21)26(11-23(31)28-25(26)33)14-29-13-15-5-6-17(35-2)9-18(15)24(29)32/h2-5,10-12,14-15,42H,6-9,13,16-17H2,1H3,(H,34,39,41);4-5,10-12,14,38H,3,6-9,13,15-16H2,1-2H3,(H,30,35,37);6-7,9-11,13H,4-5,8,12,14-15H2,1-3H3,(H,29,33,35);5-6,8-10,12H,3-4,7,11,13-14H2,1-2H3,(H,28,31,33)/t30-;28-;27-;26-/m1111/s1.

What are the key properties of (3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione?

(3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione has a molecular weight of 2139.23 g/mol, XLogP of 7.76, 30 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[6-[4-(dimethylamino)butanoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[C-(4-ethylpiperazin-1-yl)-N-hydroxycarbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-[N-hydroxy-C-(4-pyrazin-2-ylpiperazin-1-yl)carbonimidoyl]furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione;(3R)-3-[6-(4-methoxybutanoyl)furo[3,2-b]pyridin-2-yl]-3-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 158740652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).