1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C23H21FN4O — CID 55486953

About 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55486953) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55486953
• Molecular Formula: C23H21FN4O
• Molecular Weight: 388.45 g/mol
• Exact Mass: 388.17
• IUPAC Name: 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCn1ncc2c(C(=O)NCCc3ccc(F)cc3)cc(-c3ccccc3)nc21
• InChI: InChI=1S/C23H21FN4O/c1-2-28-22-20(15-26-28)19(14-21(27-22)17-6-4-3-5-7-17)23(29)25-13-12-16-8-10-18(24)11-9-16/h3-11,14-15H,2,12-13H2,1H3,(H,25,29)
• InChIKey: IEFOJTIYCZIWCO-UHFFFAOYSA-N
• XLogP: 4.23
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.45
LogP ≤ 5	4.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 55486953) is 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCn1ncc2c(C(=O)NCCc3ccc(F)cc3)cc(-c3ccccc3)nc21.

What is the InChIKey of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is IEFOJTIYCZIWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-2-28-22-20(15-26-28)19(14-21(27-22)17-6-4-3-5-7-17)23(29)25-13-12-16-8-10-18(24)11-9-16/h3-11,14-15H,2,12-13H2,1H3,(H,25,29).

What are the key properties of 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?

1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-[2-(4-fluorophenyl)ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55486953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).