3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane

C110H143BBrN17O12 — CID 157476257

About 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;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-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane (PubChem CID 157476257) has the molecular formula C110H143BBrN17O12 and a molecular weight of 1986.18 g/mol. Its IUPAC name is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;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-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane
• PubChem CID: 157476257
• Molecular Formula: C110H143BBrN17O12
• Molecular Weight: 1986.18 g/mol
• Exact Mass: 1984.04
• IUPAC Name: 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane
• SMILES: C.C.C=C(C)B1OC(C)CC(C)(C)O1.C=C(C)c1ccc2c(c1)C(c1cncc(O[C@H]3CN(C(=O)OC(C)(C)C)CCC34CC4)n1)=NC2.CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2cncc(C3=NCc4ccc(Br)cc43)n2)C1.CC(C)c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.CC(C)c1ccc2c(c1)C(c1cncc(O[C@H]3CN(C(=O)OC(C)(C)C)CCC34CC4)n1)=NC2
• InChI: InChI=1S/C27H34N4O3.C27H32N4O3.C24H27BrN4O3.C21H25N5O.C9H17BO2.2CH4/c2*1-17(2)18-6-7-19-13-29-24(20(19)12-18)21-14-28-15-23(30-21)33-22-16-31(11-10-27(22)8-9-27)25(32)34-26(3,4)5;1-23(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;1-7(2)10-11-8(3)6-9(4,5)12-10;;/h6-7,12,14-15,17,22H,8-11,13,16H2,1-5H3;6-7,12,14-15,22H,1,8-11,13,16H2,2-5H3;4-5,10,12-13,19H,6-9,11,14H2,1-3H3;3-4,9-10,12-13,18,22H,5-8,11H2,1-2H3,(H,25,26);8H,1,6H2,2-5H3;2*1H4/t2*22-;19-;18-;;;/m0000.../s1
• InChIKey: BVPXQSMQCLKTFI-LONYTMGUSA-N
• XLogP: 22.04
• TPSA: 324.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1986.18
LogP ≤ 5	22.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'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-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;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-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane (CID 157476257) is 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;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-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;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-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane is C.C.C=C(C)B1OC(C)CC(C)(C)O1.C=C(C)c1ccc2c(c1)C(c1cncc(O[C@H]3CN(C(=O)OC(C)(C)C)CCC34CC4)n1)=NC2.CC(C)(C)OC(=O)N1CCC2(CC2)[C@@H](Oc2cncc(C3=NCc4ccc(Br)cc43)n2)C1.CC(C)c1ccc2[nH]nc(-c3cncc(O[C@H]4CNCCC45CC5)n3)c2c1.CC(C)c1ccc2c(c1)C(c1cncc(O[C@H]3CN(C(=O)OC(C)(C)C)CCC34CC4)n1)=NC2.

What is the InChIKey of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane?

The InChIKey is BVPXQSMQCLKTFI-LONYTMGUSA-N. The full InChI is InChI=1S/C27H34N4O3.C27H32N4O3.C24H27BrN4O3.C21H25N5O.C9H17BO2.2CH4/c2*1-17(2)18-6-7-19-13-29-24(20(19)12-18)21-14-28-15-23(30-21)33-22-16-31(11-10-27(22)8-9-27)25(32)34-26(3,4)5;1-23(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;1-7(2)10-11-8(3)6-9(4,5)12-10;;/h6-7,12,14-15,17,22H,8-11,13,16H2,1-5H3;6-7,12,14-15,22H,1,8-11,13,16H2,2-5H3;4-5,10,12-13,19H,6-9,11,14H2,1-3H3;3-4,9-10,12-13,18,22H,5-8,11H2,1-2H3,(H,25,26);8H,1,6H2,2-5H3;2*1H4/t2*22-;19-;18-;;;/m0000.../s1.

What are the key properties of 3-[6-[[(8R)-6-azaspiro[2.5]octan-8-yl]oxy]pyrazin-2-yl]-5-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;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-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane has a molecular weight of 1986.18 g/mol, XLogP of 22.04, 16 rotatable bonds, 2 hydrogen bond donors, and 25 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-propan-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;tert-butyl (8R)-8-[6-(6-propan-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;tert-butyl (8R)-8-[6-(6-prop-1-en-2-yl-3H-isoindol-1-yl)pyrazin-2-yl]oxy-6-azaspiro[2.5]octane-6-carboxylate;methane;4,4,6-trimethyl-2-prop-1-en-2-yl-1,3,2-dioxaborinane is sourced from PubChem (CID 157476257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).