3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane

C48H58BBrN10O4 — CID 160922485

About 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane (PubChem CID 160922485) has the molecular formula C48H58BBrN10O4 and a molecular weight of 929.77 g/mol. Its IUPAC name is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane.

Molecular Properties

• Compound Name: 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane
• PubChem CID: 160922485
• Molecular Formula: C48H58BBrN10O4
• Molecular Weight: 929.77 g/mol
• Exact Mass: 928.39
• IUPAC Name: 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane
• SMILES: Brc1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.C=C(C)B1OC(C)CC(C)(C)O1.C=C(C)c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1
• InChI: InChI=1S/C21H23N5O.C18H18BrN5O.C9H17BO2/c1-13(2)14-3-4-16-15(9-14)20(26-25-16)17-10-23-12-19(24-17)27-18-11-22-8-7-21(18)5-6-21;19-11-1-2-13-12(7-11)17(24-23-13)14-8-21-10-16(22-14)25-15-9-20-6-5-18(15)3-4-18;1-7(2)10-11-8(3)6-9(4,5)12-10/h3-4,9-10,12,18,22H,1,5-8,11H2,2H3,(H,25,26);1-2,7-8,10,15,20H,3-6,9H2,(H,23,24);8H,1,6H2,2-5H3/t18-;15-;/m00./s1
• InChIKey: SSFBUQYHBPUFQL-SVLZSBBLSA-N
• XLogP: 9.07
• TPSA: 169.90 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	929.77
LogP ≤ 5	9.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane?

The IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane (CID 160922485) is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane.

What is the SMILES notation for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane?

The canonical SMILES for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane is Brc1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.C=C(C)B1OC(C)CC(C)(C)O1.C=C(C)c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.

What is the InChIKey of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane?

The InChIKey is SSFBUQYHBPUFQL-SVLZSBBLSA-N. The full InChI is InChI=1S/C21H23N5O.C18H18BrN5O.C9H17BO2/c1-13(2)14-3-4-16-15(9-14)20(26-25-16)17-10-23-12-19(24-17)27-18-11-22-8-7-21(18)5-6-21;19-11-1-2-13-12(7-11)17(24-23-13)14-8-21-10-16(22-14)25-15-9-20-6-5-18(15)3-4-18;1-7(2)10-11-8(3)6-9(4,5)12-10/h3-4,9-10,12,18,22H,1,5-8,11H2,2H3,(H,25,26);1-2,7-8,10,15,20H,3-6,9H2,(H,23,24);8H,1,6H2,2-5H3/t18-;15-;/m00./s1.

What are the key properties of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane?

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane has a molecular weight of 929.77 g/mol, XLogP of 9.07, 8 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-bromo-1H-indazole;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane is sourced from PubChem (CID 160922485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).