(5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione

C45H38N8O12 — CID 158870735

About (5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione

(5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 158870735) has the molecular formula C45H38N8O12 and a molecular weight of 882.84 g/mol. Its IUPAC name is (5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
• PubChem CID: 158870735
• Molecular Formula: C45H38N8O12
• Molecular Weight: 882.84 g/mol
• Exact Mass: 882.26
• IUPAC Name: (5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
• SMILES: CCC(=O)c1cnc2cc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)oc2c1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(C(C)=O)cc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C23H20N4O6.C22H18N4O6/c1-3-17(28)13-6-18-16(24-9-13)8-19(33-18)23(21(30)25-22(31)26-23)11-27-10-12-4-5-14(32-2)7-15(12)20(27)29;1-11(27)13-5-17-16(23-8-13)7-18(32-17)22(20(29)24-21(30)25-22)10-26-9-12-3-4-14(31-2)6-15(12)19(26)28/h4-9H,3,10-11H2,1-2H3,(H2,25,26,30,31);3-8H,9-10H2,1-2H3,(H2,24,25,29,30)/t23-;22-/m00/s1
• InChIKey: JBURJMUIUHWADA-UGHHBTDHSA-N
• XLogP: 3.85
• TPSA: 261.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	882.84
LogP ≤ 5	3.85
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (CID 158870735) is (5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is CCC(=O)c1cnc2cc([C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)oc2c1.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncc(C(C)=O)cc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?

The InChIKey is JBURJMUIUHWADA-UGHHBTDHSA-N. The full InChI is InChI=1S/C23H20N4O6.C22H18N4O6/c1-3-17(28)13-6-18-16(24-9-13)8-19(33-18)23(21(30)25-22(31)26-23)11-27-10-12-4-5-14(32-2)7-15(12)20(27)29;1-11(27)13-5-17-16(23-8-13)7-18(32-17)22(20(29)24-21(30)25-22)10-26-9-12-3-4-14(31-2)6-15(12)19(26)28/h4-9H,3,10-11H2,1-2H3,(H2,25,26,30,31);3-8H,9-10H2,1-2H3,(H2,24,25,29,30)/t23-;22-/m00/s1.

What are the key properties of (5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?

(5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 882.84 g/mol, XLogP of 3.85, 11 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(6-acetylfuro[3,2-b]pyridin-2-yl)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5S)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-(6-propanoylfuro[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 158870735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).