1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane

C120H126BBrN20O13 — CID 160992259

About 1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane

1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane (PubChem CID 160992259) has the molecular formula C120H126BBrN20O13 and a molecular weight of 2147.17 g/mol. Its IUPAC name is 1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane
• PubChem CID: 160992259
• Molecular Formula: C120H126BBrN20O13
• Molecular Weight: 2147.17 g/mol
• Exact Mass: 2144.91
• IUPAC Name: 1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane
• SMILES: CC#CC(=O)N1CC2(CC2)CC1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12.CC#CC(=O)O.CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12.CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1nc(Br)c2c(N)nccn12.CC1(C)OB(c2ccc(Oc3ccccc3)cc2)OC1(C)C.Nc1nccn2c([C@@H]3CC4(CC4)CN3)nc(-c3ccc(Oc4ccccc4)cc3)c12
• InChI: InChI=1S/C29H31N5O3.C28H25N5O2.C24H23N5O.C18H21BO3.C17H22BrN5O2.C4H4O2/c1-28(2,3)37-27(35)34-18-29(13-14-29)17-22(34)26-32-23(24-25(30)31-15-16-33(24)26)19-9-11-21(12-10-19)36-20-7-5-4-6-8-20;1-2-6-23(34)33-18-28(13-14-28)17-22(33)27-31-24(25-26(29)30-15-16-32(25)27)19-9-11-21(12-10-19)35-20-7-4-3-5-8-20;25-22-21-20(16-6-8-18(9-7-16)30-17-4-2-1-3-5-17)28-23(29(21)13-12-26-22)19-14-24(10-11-24)15-27-19;1-17(2)18(3,4)22-19(21-17)14-10-12-16(13-11-14)20-15-8-6-5-7-9-15;1-16(2,3)25-15(24)23-9-17(4-5-17)8-10(23)14-21-12(18)11-13(19)20-6-7-22(11)14;1-2-3-4(5)6/h4-12,15-16,22H,13-14,17-18H2,1-3H3,(H2,30,31);3-5,7-12,15-16,22H,13-14,17-18H2,1H3,(H2,29,30);1-9,12-13,19,27H,10-11,14-15H2,(H2,25,26);5-13H,1-4H3;6-7,10H,4-5,8-9H2,1-3H3,(H2,19,20);1H3,(H,5,6)/t22-;;19-;;10-;/m0.0.0./s1
• InChIKey: TUUCAJREFYOKQO-BORKIZAGSA-N
• XLogP: 23.07
• TPSA: 408.94 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 16
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2147.17
LogP ≤ 5	23.07
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane?

The IUPAC name of 1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane (CID 160992259) is 1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane.

What is the SMILES notation for 1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane?

The canonical SMILES for 1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane is CC#CC(=O)N1CC2(CC2)CC1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12.CC#CC(=O)O.CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc(Oc3ccccc3)cc2)c2c(N)nccn12.CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1nc(Br)c2c(N)nccn12.CC1(C)OB(c2ccc(Oc3ccccc3)cc2)OC1(C)C.Nc1nccn2c([C@@H]3CC4(CC4)CN3)nc(-c3ccc(Oc4ccccc4)cc3)c12.

What is the InChIKey of 1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane?

The InChIKey is TUUCAJREFYOKQO-BORKIZAGSA-N. The full InChI is InChI=1S/C29H31N5O3.C28H25N5O2.C24H23N5O.C18H21BO3.C17H22BrN5O2.C4H4O2/c1-28(2,3)37-27(35)34-18-29(13-14-29)17-22(34)26-32-23(24-25(30)31-15-16-33(24)26)19-9-11-21(12-10-19)36-20-7-5-4-6-8-20;1-2-6-23(34)33-18-28(13-14-28)17-22(33)27-31-24(25-26(29)30-15-16-32(25)27)19-9-11-21(12-10-19)35-20-7-4-3-5-8-20;25-22-21-20(16-6-8-18(9-7-16)30-17-4-2-1-3-5-17)28-23(29(21)13-12-26-22)19-14-24(10-11-24)15-27-19;1-17(2)18(3,4)22-19(21-17)14-10-12-16(13-11-14)20-15-8-6-5-7-9-15;1-16(2,3)25-15(24)23-9-17(4-5-17)8-10(23)14-21-12(18)11-13(19)20-6-7-22(11)14;1-2-3-4(5)6/h4-12,15-16,22H,13-14,17-18H2,1-3H3,(H2,30,31);3-5,7-12,15-16,22H,13-14,17-18H2,1H3,(H2,29,30);1-9,12-13,19,27H,10-11,14-15H2,(H2,25,26);5-13H,1-4H3;6-7,10H,4-5,8-9H2,1-3H3,(H2,19,20);1H3,(H,5,6)/t22-;;19-;;10-;/m0.0.0./s1.

What are the key properties of 1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane?

1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane has a molecular weight of 2147.17 g/mol, XLogP of 23.07, 16 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;3-[(6S)-5-azaspiro[2.4]heptan-6-yl]-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-8-amine;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl (6S)-6-[8-amino-1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;4,4,5,5-tetramethyl-2-(4-phenoxyphenyl)-1,3,2-dioxaborolane is sourced from PubChem (CID 160992259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).