3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride

C147H173BBrClN20O15Si2 — CID 162027522

About 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride (PubChem CID 162027522) has the molecular formula C147H173BBrClN20O15Si2 and a molecular weight of 2642.47 g/mol. Its IUPAC name is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride.

Molecular Properties

• Compound Name: 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride
• PubChem CID: 162027522
• Molecular Formula: C147H173BBrClN20O15Si2
• Molecular Weight: 2642.47 g/mol
• Exact Mass: 2639.19
• IUPAC Name: 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride
• SMILES: C.C#Cc1ccccc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.C#Cc1ccccc1-c1ccc2c(c1)c(-c1cncc(O[C@H]3CN(C(=O)OC(C)(C)C)CCC34CC4)n1)nn2C1CCCCO1.CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2cncc(-c3nn(C4CCCCO4)c4ccc(-c5ccccc5C#C[Si](C)(C)C)cc34)n2)C1.CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)C1.CC1(C)OB(c2ccccc2C#C[Si](C)(C)C)OC1(C)C.Cl
• InChI: InChI=1S/C39H47N5O4Si.C36H39N5O4.C28H34BrN5O4.C26H23N5O.C17H25BO2Si.CH4.ClH/c1-38(2,3)48-37(45)43-20-19-39(17-18-39)33(26-43)47-34-25-40-24-31(41-34)36-30-23-28(29-12-8-7-11-27(29)16-22-49(4,5)6)14-15-32(30)44(42-36)35-13-9-10-21-46-35;1-5-24-10-6-7-11-26(24)25-13-14-29-27(20-25)33(39-41(29)32-12-8-9-19-43-32)28-21-37-22-31(38-28)44-30-23-40(18-17-36(30)15-16-36)34(42)45-35(2,3)4;1-27(2,3)38-26(35)33-12-11-28(9-10-28)22(17-33)37-23-16-30-15-20(31-23)25-19-14-18(29)7-8-21(19)34(32-25)24-6-4-5-13-36-24;1-2-17-5-3-4-6-19(17)18-7-8-21-20(13-18)25(31-30-21)22-14-28-16-24(29-22)32-23-15-27-12-11-26(23)9-10-26;1-16(2)17(3,4)20-18(19-16)15-11-9-8-10-14(15)12-13-21(5,6)7;;/h7-8,11-12,14-15,23-25,33,35H,9-10,13,17-21,26H2,1-6H3;1,6-7,10-11,13-14,20-22,30,32H,8-9,12,15-19,23H2,2-4H3;7-8,14-16,22,24H,4-6,9-13,17H2,1-3H3;1,3-8,13-14,16,23,27H,9-12,15H2,(H,30,31);8-11H,1-7H3;1H4;1H/t33-,35?;30-,32?;22-,24?;23-;;;/m0000.../s1
• InChIKey: VNZPGEPJWAKYPK-GKUKKHMSSA-N
• XLogP: 29.85
• TPSA: 368.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 31
• Rotatable Bonds: 19
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2642.47
LogP ≤ 5	29.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', '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-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride?

The IUPAC name of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride (CID 162027522) is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride.

What is the SMILES notation for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride?

The canonical SMILES for 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride is C.C#Cc1ccccc1-c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.C#Cc1ccccc1-c1ccc2c(c1)c(-c1cncc(O[C@H]3CN(C(=O)OC(C)(C)C)CCC34CC4)n1)nn2C1CCCCO1.CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2cncc(-c3nn(C4CCCCO4)c4ccc(-c5ccccc5C#C[Si](C)(C)C)cc34)n2)C1.CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2cncc(-c3nn(C4CCCCO4)c4ccc(Br)cc34)n2)C1.CC1(C)OB(c2ccccc2C#C[Si](C)(C)C)OC1(C)C.Cl.

What is the InChIKey of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride?

The InChIKey is VNZPGEPJWAKYPK-GKUKKHMSSA-N. The full InChI is InChI=1S/C39H47N5O4Si.C36H39N5O4.C28H34BrN5O4.C26H23N5O.C17H25BO2Si.CH4.ClH/c1-38(2,3)48-37(45)43-20-19-39(17-18-39)33(26-43)47-34-25-40-24-31(41-34)36-30-23-28(29-12-8-7-11-27(29)16-22-49(4,5)6)14-15-32(30)44(42-36)35-13-9-10-21-46-35;1-5-24-10-6-7-11-26(24)25-13-14-29-27(20-25)33(39-41(29)32-12-8-9-19-43-32)28-21-37-22-31(38-28)44-30-23-40(18-17-36(30)15-16-36)34(42)45-35(2,3)4;1-27(2,3)38-26(35)33-12-11-28(9-10-28)22(17-33)37-23-16-30-15-20(31-23)25-19-14-18(29)7-8-21(19)34(32-25)24-6-4-5-13-36-24;1-2-17-5-3-4-6-19(17)18-7-8-21-20(13-18)25(31-30-21)22-14-28-16-24(29-22)32-23-15-27-12-11-26(23)9-10-26;1-16(2)17(3,4)20-18(19-16)15-11-9-8-10-14(15)12-13-21(5,6)7;;/h7-8,11-12,14-15,23-25,33,35H,9-10,13,17-21,26H2,1-6H3;1,6-7,10-11,13-14,20-22,30,32H,8-9,12,15-19,23H2,2-4H3;7-8,14-16,22,24H,4-6,9-13,17H2,1-3H3;1,3-8,13-14,16,23,27H,9-12,15H2,(H,30,31);8-11H,1-7H3;1H4;1H/t33-,35?;30-,32?;22-,24?;23-;;;/m0000.../s1.

What are the key properties of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride?

3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride has a molecular weight of 2642.47 g/mol, XLogP of 29.85, 19 rotatable bonds, 2 hydrogen bond donors, and 31 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-(2-ethynylphenyl)-1H-indazole;tert-butyl (8R)-8-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[5-(2-ethynylphenyl)-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-[1-(oxan-2-yl)-5-[2-(2-trimethylsilylethynyl)phenyl]indazol-3-yl]pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;trimethyl-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethynyl]silane;hydrochloride is sourced from PubChem (CID 162027522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).