1-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid

C127H141BBrN21O13 — CID 157134241

About 1-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid

1-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid (PubChem CID 157134241) has the molecular formula C127H141BBrN21O13 and a molecular weight of 2260.37 g/mol. Its IUPAC name is 1-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid.

Molecular Properties

• Compound Name: 1-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid
• PubChem CID: 157134241
• Molecular Formula: C127H141BBrN21O13
• Molecular Weight: 2260.37 g/mol
• Exact Mass: 2258.03
• IUPAC Name: 1-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid
• SMILES: CC#CC(=O)N1CC2(CC2)CC1c1nc(-c2ccc(C(C)(O)c3ccccc3)cc2)c2c(N)nccn12.CC#CC(=O)O.CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc(C(C)(O)c3ccccc3)cc2)c2c(N)nccn12.CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1nc(Br)c2c(N)nccn12.CC(O)(c1ccccc1)c1ccc(-c2nc([C@@H]3CC4(CC4)CN3)n3ccnc(N)c23)cc1.CC(O)(c1ccccc1)c1ccc(B2OC(C)(C)C(C)(N)O2)cc1
• InChI: InChI=1S/C31H35N5O3.C30H29N5O2.C26H27N5O.C19H24BNO3.C17H22BrN5O2.C4H4O2/c1-29(2,3)39-28(37)36-19-31(14-15-31)18-23(36)27-34-24(25-26(32)33-16-17-35(25)27)20-10-12-22(13-11-20)30(4,38)21-8-6-5-7-9-21;1-3-7-24(36)35-19-30(14-15-30)18-23(35)28-33-25(26-27(31)32-16-17-34(26)28)20-10-12-22(13-11-20)29(2,37)21-8-5-4-6-9-21;1-25(32,18-5-3-2-4-6-18)19-9-7-17(8-10-19)21-22-23(27)28-13-14-31(22)24(30-21)20-15-26(11-12-26)16-29-20;1-17(2)19(4,21)24-20(23-17)16-12-10-15(11-13-16)18(3,22)14-8-6-5-7-9-14;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/h5-13,16-17,23,38H,14-15,18-19H2,1-4H3,(H2,32,33);4-6,8-13,16-17,23,37H,14-15,18-19H2,1-2H3,(H2,31,32);2-10,13-14,20,29,32H,11-12,15-16H2,1H3,(H2,27,28);5-13,22H,21H2,1-4H3;6-7,10H,4-5,8-9H2,1-3H3,(H2,19,20);1H3,(H,5,6)/t23-,30?;;20-,25?;;10-;/m0.0.0./s1
• InChIKey: AJKYFWPMLWYOCS-NGGSPPOISA-N
• XLogP: 19.82
• TPSA: 478.96 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 30
• Rotatable Bonds: 16
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2260.37
LogP ≤ 5	19.82
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	30

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-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid?

The IUPAC name of 1-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid (CID 157134241) is 1-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid.

What is the SMILES notation for 1-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid?

The canonical SMILES for 1-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid is CC#CC(=O)N1CC2(CC2)CC1c1nc(-c2ccc(C(C)(O)c3ccccc3)cc2)c2c(N)nccn12.CC#CC(=O)O.CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1nc(-c2ccc(C(C)(O)c3ccccc3)cc2)c2c(N)nccn12.CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1nc(Br)c2c(N)nccn12.CC(O)(c1ccccc1)c1ccc(-c2nc([C@@H]3CC4(CC4)CN3)n3ccnc(N)c23)cc1.CC(O)(c1ccccc1)c1ccc(B2OC(C)(C)C(C)(N)O2)cc1.

What is the InChIKey of 1-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid?

The InChIKey is AJKYFWPMLWYOCS-NGGSPPOISA-N. The full InChI is InChI=1S/C31H35N5O3.C30H29N5O2.C26H27N5O.C19H24BNO3.C17H22BrN5O2.C4H4O2/c1-29(2,3)39-28(37)36-19-31(14-15-31)18-23(36)27-34-24(25-26(32)33-16-17-35(25)27)20-10-12-22(13-11-20)30(4,38)21-8-6-5-7-9-21;1-3-7-24(36)35-19-30(14-15-30)18-23(35)28-33-25(26-27(31)32-16-17-34(26)28)20-10-12-22(13-11-20)29(2,37)21-8-5-4-6-9-21;1-25(32,18-5-3-2-4-6-18)19-9-7-17(8-10-19)21-22-23(27)28-13-14-31(22)24(30-21)20-15-26(11-12-26)16-29-20;1-17(2)19(4,21)24-20(23-17)16-12-10-15(11-13-16)18(3,22)14-8-6-5-7-9-14;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/h5-13,16-17,23,38H,14-15,18-19H2,1-4H3,(H2,32,33);4-6,8-13,16-17,23,37H,14-15,18-19H2,1-2H3,(H2,31,32);2-10,13-14,20,29,32H,11-12,15-16H2,1H3,(H2,27,28);5-13,22H,21H2,1-4H3;6-7,10H,4-5,8-9H2,1-3H3,(H2,19,20);1H3,(H,5,6)/t23-,30?;;20-,25?;;10-;/m0.0.0./s1.

What are the key properties of 1-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid?

1-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid has a molecular weight of 2260.37 g/mol, XLogP of 19.82, 16 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[8-amino-3-[(6S)-5-azaspiro[2.4]heptan-6-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol;1-[6-[8-amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;1-[4-(4-amino-4,5,5-trimethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-phenylethanol;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-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid is sourced from PubChem (CID 157134241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).