tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate

C23H26BrN5O3 — CID 123190909

About tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 123190909) has the molecular formula C23H26BrN5O3 and a molecular weight of 500.40 g/mol. Its IUPAC name is tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate
• PubChem CID: 123190909
• Molecular Formula: C23H26BrN5O3
• Molecular Weight: 500.40 g/mol
• Exact Mass: 499.12
• IUPAC Name: tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCC2(CC2)C(Oc2cncc(-c3n[nH]c4ccc(Br)cc34)n2)C1
• InChI: InChI=1S/C23H26BrN5O3/c1-22(2,3)32-21(30)29-9-8-23(6-7-23)18(13-29)31-19-12-25-11-17(26-19)20-15-10-14(24)4-5-16(15)27-28-20/h4-5,10-12,18H,6-9,13H2,1-3H3,(H,27,28)
• InChIKey: DMTOAJRZFNEQMM-UHFFFAOYSA-N
• XLogP: 4.95
• TPSA: 93.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.40
LogP ≤ 5	4.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?

The IUPAC name of tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate (CID 123190909) is tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate.

What is the SMILES notation for tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?

The canonical SMILES for tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate is CC(C)(C)OC(=O)N1CCC2(CC2)C(Oc2cncc(-c3n[nH]c4ccc(Br)cc34)n2)C1.

What is the InChIKey of tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?

The InChIKey is DMTOAJRZFNEQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26BrN5O3/c1-22(2,3)32-21(30)29-9-8-23(6-7-23)18(13-29)31-19-12-25-11-17(26-19)20-15-10-14(24)4-5-16(15)27-28-20/h4-5,10-12,18H,6-9,13H2,1-3H3,(H,27,28).

What are the key properties of tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate?

tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 500.40 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 8-[6-(5-bromo-1H-indazol-3-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 123190909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).