[2-(diethylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C24H28N4O5 — CID 46693693

About [2-(diethylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-(diethylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46693693) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [2-(diethylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 46693693
• Molecular Formula: C24H28N4O5
• Molecular Weight: 452.51 g/mol
• Exact Mass: 452.21
• IUPAC Name: [2-(diethylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: CCN(CC)C(=O)COC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C
• InChI: InChI=1S/C24H28N4O5/c1-5-27(6-2)22(29)14-33-24(30)17-12-19(26-23-18(17)13-25-28(23)15(3)4)16-7-8-20-21(11-16)32-10-9-31-20/h7-8,11-13,15H,5-6,9-10,14H2,1-4H3
• InChIKey: IXMZLUGMNFVXGI-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 95.78 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	452.51
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of [2-(diethylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 46693693) is [2-(diethylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

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

The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CCN(CC)C(=O)COC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2c1cnn2C(C)C.

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

The InChIKey is IXMZLUGMNFVXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-5-27(6-2)22(29)14-33-24(30)17-12-19(26-23-18(17)13-25-28(23)15(3)4)16-7-8-20-21(11-16)32-10-9-31-20/h7-8,11-13,15H,5-6,9-10,14H2,1-4H3.

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

[2-(diethylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 452.51 g/mol, XLogP of 3.48, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(diethylamino)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46693693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).