[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C24H30N4O4 — CID 46676564

About [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 46676564) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

• Compound Name: [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• PubChem CID: 46676564
• Molecular Formula: C24H30N4O4
• Molecular Weight: 438.53 g/mol
• Exact Mass: 438.23
• IUPAC Name: [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
• SMILES: CCN(C(=O)COC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)C1CCCCC1
• InChI: InChI=1S/C24H30N4O4/c1-4-27(17-9-6-5-7-10-17)22(29)15-32-24(30)18-13-20(21-11-8-12-31-21)26-23-19(18)14-25-28(23)16(2)3/h8,11-14,16-17H,4-7,9-10,15H2,1-3H3
• InChIKey: PDSLLTJIBJYRBU-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 90.46 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.53
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The IUPAC name of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 46676564) is [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

What is the SMILES notation for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The canonical SMILES for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is CCN(C(=O)COC(=O)c1cc(-c2ccco2)nc2c1cnn2C(C)C)C1CCCCC1.

What is the InChIKey of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

The InChIKey is PDSLLTJIBJYRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c1-4-27(17-9-6-5-7-10-17)22(29)15-32-24(30)18-13-20(21-11-8-12-31-21)26-23-19(18)14-25-28(23)16(2)3/h8,11-14,16-17H,4-7,9-10,15H2,1-3H3.

What are the key properties of [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?

[2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 438.53 g/mol, XLogP of 4.61, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[cyclohexyl(ethyl)amino]-2-oxoethyl] 6-(furan-2-yl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 46676564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).