6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

C22H22N4O3 — CID 31866868

About 6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 31866868) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 31866868
• Molecular Formula: C22H22N4O3
• Molecular Weight: 390.44 g/mol
• Exact Mass: 390.17
• IUPAC Name: 6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1ccccc1CCNC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C
• InChI: InChI=1S/C22H22N4O3/c1-14-20-16(22(27)23-11-10-15-7-4-5-8-18(15)28-3)13-17(19-9-6-12-29-19)24-21(20)26(2)25-14/h4-9,12-13H,10-11H2,1-3H3,(H,23,27)
• InChIKey: HWTUUXJMYWQHKJ-UHFFFAOYSA-N
• XLogP: 3.52
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.44
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 31866868) is 6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is COc1ccccc1CCNC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C.

What is the InChIKey of 6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is HWTUUXJMYWQHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-14-20-16(22(27)23-11-10-15-7-4-5-8-18(15)28-3)13-17(19-9-6-12-29-19)24-21(20)26(2)25-14/h4-9,12-13H,10-11H2,1-3H3,(H,23,27).

What are the key properties of 6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide?

6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 390.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 31866868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).