6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

C21H24N4O4 — CID 17466236

About 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 17466236) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 17466236
• Molecular Formula: C21H24N4O4
• Molecular Weight: 396.45 g/mol
• Exact Mass: 396.18
• IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COCCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C
• InChI: InChI=1S/C21H24N4O4/c1-13(2)25-20-16(12-23-25)15(21(26)22-6-7-27-3)11-17(24-20)14-4-5-18-19(10-14)29-9-8-28-18/h4-5,10-13H,6-9H2,1-3H3,(H,22,26)
• InChIKey: YGDQVSCAANJEBU-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 87.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.45
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 17466236) is 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is COCCNC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C.

What is the InChIKey of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is YGDQVSCAANJEBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-13(2)25-20-16(12-23-25)15(21(26)22-6-7-27-3)11-17(24-20)14-4-5-18-19(10-14)29-9-8-28-18/h4-5,10-13H,6-9H2,1-3H3,(H,22,26).

What are the key properties of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(2-methoxyethyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 17466236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).