5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione

C23H18N6O5 — CID 76680042

About 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione (PubChem CID 76680042) has the molecular formula C23H18N6O5 and a molecular weight of 458.43 g/mol. Its IUPAC name is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
• PubChem CID: 76680042
• Molecular Formula: C23H18N6O5
• Molecular Weight: 458.43 g/mol
• Exact Mass: 458.13
• IUPAC Name: 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione
• SMILES: COc1ccc2c(c1)C(=O)N(CC1(c3cc4c(-c5cn[nH]c5)nccc4o3)NC(=O)NC1=O)C2
• InChI: InChI=1S/C23H18N6O5/c1-33-14-3-2-12-10-29(20(30)15(12)6-14)11-23(21(31)27-22(32)28-23)18-7-16-17(34-18)4-5-24-19(16)13-8-25-26-9-13/h2-9H,10-11H2,1H3,(H,25,26)(H2,27,28,31,32)
• InChIKey: ZCUPUHPCEAGIMA-UHFFFAOYSA-N
• XLogP: 1.92
• TPSA: 142.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.43
LogP ≤ 5	1.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione?

The IUPAC name of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione (CID 76680042) is 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione?

The canonical SMILES for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione is COc1ccc2c(c1)C(=O)N(CC1(c3cc4c(-c5cn[nH]c5)nccc4o3)NC(=O)NC1=O)C2.

What is the InChIKey of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione?

The InChIKey is ZCUPUHPCEAGIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O5/c1-33-14-3-2-12-10-29(20(30)15(12)6-14)11-23(21(31)27-22(32)28-23)18-7-16-17(34-18)4-5-24-19(16)13-8-25-26-9-13/h2-9H,10-11H2,1H3,(H,25,26)(H2,27,28,31,32).

What are the key properties of 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione?

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione has a molecular weight of 458.43 g/mol, XLogP of 1.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(1H-pyrazol-4-yl)furo[3,2-c]pyridin-2-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 76680042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).