3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole

C25H25N7O — CID 123212203

About 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole

3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole (PubChem CID 123212203) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole.

Molecular Properties

• Compound Name: 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole
• PubChem CID: 123212203
• Molecular Formula: C25H25N7O
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.21
• IUPAC Name: 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole
• SMILES: c1cc2[nH]nc(-c3cncc(OC4CNCCC45CC5)n3)c2cc1-c1cncc(C2CC2)n1
• InChI: InChI=1S/C25H25N7O/c1-2-15(1)19-10-27-11-20(29-19)16-3-4-18-17(9-16)24(32-31-18)21-12-28-14-23(30-21)33-22-13-26-8-7-25(22)5-6-25/h3-4,9-12,14-15,22,26H,1-2,5-8,13H2,(H,31,32)
• InChIKey: RXPLSMWXXXTLQI-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 101.50 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole?

The IUPAC name of 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole (CID 123212203) is 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole.

What is the SMILES notation for 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole?

The canonical SMILES for 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole is c1cc2[nH]nc(-c3cncc(OC4CNCCC45CC5)n3)c2cc1-c1cncc(C2CC2)n1.

What is the InChIKey of 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole?

The InChIKey is RXPLSMWXXXTLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c1-2-15(1)19-10-27-11-20(29-19)16-3-4-18-17(9-16)24(32-31-18)21-12-28-14-23(30-21)33-22-13-26-8-7-25(22)5-6-25/h3-4,9-12,14-15,22,26H,1-2,5-8,13H2,(H,31,32).

What are the key properties of 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole?

3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole has a molecular weight of 439.52 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-(6-azaspiro[2.5]octan-8-yloxy)pyrazin-2-yl]-5-(6-cyclopropylpyrazin-2-yl)-1H-indazole is sourced from PubChem (CID 123212203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).