potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride

C48H55BBrF3KN9O4 — CID 157478673

About potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride

potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride (PubChem CID 157478673) has the molecular formula C48H55BBrF3KN9O4 and a molecular weight of 1008.83 g/mol. Its IUPAC name is potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride.

Molecular Properties

• Compound Name: potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride
• PubChem CID: 157478673
• Molecular Formula: C48H55BBrF3KN9O4
• Molecular Weight: 1008.83 g/mol
• Exact Mass: 1007.32
• IUPAC Name: potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride
• SMILES: C=C(C)B(F)F.C=C(C)c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2cncc(C3=NCc4ccc(Br)cc43)n2)C1.[F-].[K+]
• InChI: InChI=1S/C24H27BrN4O3.C21H23N5O.C3H5BF2.FH.K/c1-23(2,3)32-22(30)29-9-8-24(6-7-24)19(14-29)31-20-13-26-12-18(28-20)21-17-10-16(25)5-4-15(17)11-27-21;1-13(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;1-3(2)4(5)6;;/h4-5,10,12-13,19H,6-9,11,14H2,1-3H3;3-4,9-10,12,18,22H,1,5-8,11H2,2H3,(H,25,26);1H2,2H3;1H;/q;;;;+1/p-1/t19-;18-;;;/m00.../s1
• InChIKey: YVURRSFRBUOKQV-IGNUDSIPSA-M
• XLogP: 3.87
• TPSA: 152.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1008.83
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride?

The IUPAC name of potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride (CID 157478673) is potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride.

What is the SMILES notation for potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride?

The canonical SMILES for potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride is C=C(C)B(F)F.C=C(C)c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2cncc(C3=NCc4ccc(Br)cc43)n2)C1.[F-].[K+].

What is the InChIKey of potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride?

The InChIKey is YVURRSFRBUOKQV-IGNUDSIPSA-M. The full InChI is InChI=1S/C24H27BrN4O3.C21H23N5O.C3H5BF2.FH.K/c1-23(2,3)32-22(30)29-9-8-24(6-7-24)19(14-29)31-20-13-26-12-18(28-20)21-17-10-16(25)5-4-15(17)11-27-21;1-13(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;1-3(2)4(5)6;;/h4-5,10,12-13,19H,6-9,11,14H2,1-3H3;3-4,9-10,12,18,22H,1,5-8,11H2,2H3,(H,25,26);1H2,2H3;1H;/q;;;;+1/p-1/t19-;18-;;;/m00.../s1.

What are the key properties of potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride?

potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride has a molecular weight of 1008.83 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for potassium;3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-prop-1-en-2-yl-1H-indazole;tert-butyl (8R)-8-[6-(6-bromo-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;difluoro(prop-1-en-2-yl)borane;fluoride is sourced from PubChem (CID 157478673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).