(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione

C21H16N8O5 — CID 90997233

About (5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione

(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 90997233) has the molecular formula C21H16N8O5 and a molecular weight of 460.41 g/mol. Its IUPAC name is (5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 90997233
• Molecular Formula: C21H16N8O5
• Molecular Weight: 460.41 g/mol
• Exact Mass: 460.12
• IUPAC Name: (5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2cn(C[C@@]3(c4cc5cc(-c6nn[nH]n6)cnc5o4)NC(=O)NC3=O)c(O)c2c1
• InChI: InChI=1S/C21H16N8O5/c1-33-13-3-2-10-8-29(18(30)14(10)6-13)9-21(19(31)23-20(32)24-21)15-5-11-4-12(7-22-17(11)34-15)16-25-27-28-26-16/h2-8,30H,9H2,1H3,(H2,23,24,31,32)(H,25,26,27,28)/t21-/m0/s1
• InChIKey: QDDVQZIUNRPTPU-NRFANRHFSA-N
• XLogP: 1.41
• TPSA: 173.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.41
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione (CID 90997233) is (5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2cn(C[C@@]3(c4cc5cc(-c6nn[nH]n6)cnc5o4)NC(=O)NC3=O)c(O)c2c1.

What is the InChIKey of (5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione?

The InChIKey is QDDVQZIUNRPTPU-NRFANRHFSA-N. The full InChI is InChI=1S/C21H16N8O5/c1-33-13-3-2-10-8-29(18(30)14(10)6-13)9-21(19(31)23-20(32)24-21)15-5-11-4-12(7-22-17(11)34-15)16-25-27-28-26-16/h2-8,30H,9H2,1H3,(H2,23,24,31,32)(H,25,26,27,28)/t21-/m0/s1.

What are the key properties of (5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione?

(5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 460.41 g/mol, XLogP of 1.41, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-[(1-hydroxy-6-methoxyisoindol-2-yl)methyl]-5-[5-(2H-tetrazol-5-yl)furo[2,3-b]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 90997233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).