(5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione

C40H33N9O11 — CID 158946537

About (5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione

(5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (PubChem CID 158946537) has the molecular formula C40H33N9O11 and a molecular weight of 815.76 g/mol. Its IUPAC name is (5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
• PubChem CID: 158946537
• Molecular Formula: C40H33N9O11
• Molecular Weight: 815.76 g/mol
• Exact Mass: 815.23
• IUPAC Name: (5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4[nH]c(=O)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N)ccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C20H17N5O5.C20H16N4O6/c1-29-11-3-2-10-8-25(17(26)12(10)6-11)9-20(18(27)23-19(28)24-20)15-7-13-14(30-15)4-5-16(21)22-13;1-29-11-3-2-10-8-24(17(26)12(10)6-11)9-20(18(27)22-19(28)23-20)15-7-13-14(30-15)4-5-16(25)21-13/h2-7H,8-9H2,1H3,(H2,21,22)(H2,23,24,27,28);2-7H,8-9H2,1H3,(H,21,25)(H2,22,23,27,28)/t2*20-/m00/s1
• InChIKey: JKWUZOJSOJECQU-UHUPAWRPSA-N
• XLogP: 1.93
• TPSA: 273.53 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 13
• Rotatable Bonds: 8
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	815.76
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione (CID 158946537) is (5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4[nH]c(=O)ccc4o3)NC(=O)NC1=O)C2.COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N)ccc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of (5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?

The InChIKey is JKWUZOJSOJECQU-UHUPAWRPSA-N. The full InChI is InChI=1S/C20H17N5O5.C20H16N4O6/c1-29-11-3-2-10-8-25(17(26)12(10)6-11)9-20(18(27)23-19(28)24-20)15-7-13-14(30-15)4-5-16(21)22-13;1-29-11-3-2-10-8-24(17(26)12(10)6-11)9-20(18(27)22-19(28)23-20)15-7-13-14(30-15)4-5-16(25)21-13/h2-7H,8-9H2,1H3,(H2,21,22)(H2,23,24,27,28);2-7H,8-9H2,1H3,(H,21,25)(H2,22,23,27,28)/t2*20-/m00/s1.

What are the key properties of (5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione?

(5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione has a molecular weight of 815.76 g/mol, XLogP of 1.93, 8 rotatable bonds, 6 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(5-aminofuro[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-(5-oxo-4H-furo[3,2-b]pyridin-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 158946537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).