4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole

C₁₃H₉F₃N₄O — CID 178072806

About 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole

4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole (PubChem CID 178072806) has the molecular formula C₁₃H₉F₃N₄O and a molecular weight of 294.24 g/mol. Its IUPAC name is 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole.

Molecular Properties

• Compound Name: 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole
• PubChem CID: 178072806
• Molecular Formula: C₁₃H₉F₃N₄O
• Molecular Weight: 294.24 g/mol
• Exact Mass: 294.07
• IUPAC Name: 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole
• SMILES: Fc1ccc(-c2cnc(OCC(F)F)cn2)c2cn[nH]c12
• InChI: InChI=1S/C13H9F3N4O/c14-9-2-1-7(8-3-19-20-13(8)9)10-4-18-12(5-17-10)21-6-11(15)16/h1-5,11H,6H2,(H,19,20)
• InChIKey: ABKXOAOWHNTLJD-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 63.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.24
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole?

The IUPAC name of 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole (CID 178072806) is 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole.

What is the SMILES notation for 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole?

The canonical SMILES for 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole is Fc1ccc(-c2cnc(OCC(F)F)cn2)c2cn[nH]c12.

What is the InChIKey of 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole?

The InChIKey is ABKXOAOWHNTLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c14-9-2-1-7(8-3-19-20-13(8)9)10-4-18-12(5-17-10)21-6-11(15)16/h1-5,11H,6H2,(H,19,20).

What are the key properties of 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole?

4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole has a molecular weight of 294.24 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-(2,2-difluoroethoxy)pyrazin-2-yl]-7-fluoro-1H-indazole is sourced from PubChem (CID 178072806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 178072806 — identifiers, structure, computed properties (public domain)

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