5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine

C₁₄H₁₇F₂N₅ — CID 178072549

About 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine

5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine (PubChem CID 178072549) has the molecular formula C₁₄H₁₇F₂N₅ and a molecular weight of 293.32 g/mol. Its IUPAC name is 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine.

Molecular Properties

• Compound Name: 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
• PubChem CID: 178072549
• Molecular Formula: C₁₄H₁₇F₂N₅
• Molecular Weight: 293.32 g/mol
• Exact Mass: 293.15
• IUPAC Name: 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine
• SMILES: FC(F)Cn1ncc2nc(N3CCC4(CC3)CC4)cnc21
• InChI: InChI=1S/C14H17F2N5/c15-11(16)9-21-13-10(7-18-21)19-12(8-17-13)20-5-3-14(1-2-14)4-6-20/h7-8,11H,1-6,9H2
• InChIKey: YNMLDHZDNFIQBL-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 46.84 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.32
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?

The IUPAC name of 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine (CID 178072549) is 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine.

What is the SMILES notation for 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?

The canonical SMILES for 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine is FC(F)Cn1ncc2nc(N3CCC4(CC3)CC4)cnc21.

What is the InChIKey of 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?

The InChIKey is YNMLDHZDNFIQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5/c15-11(16)9-21-13-10(7-18-21)19-12(8-17-13)20-5-3-14(1-2-14)4-6-20/h7-8,11H,1-6,9H2.

What are the key properties of 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine?

5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine has a molecular weight of 293.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(6-azaspiro[2.5]octan-6-yl)-1-(2,2-difluoroethyl)pyrazolo[3,4-b]pyrazine is sourced from PubChem (CID 178072549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 178072549 — identifiers, structure, computed properties (public domain)

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