1-[4-[8-amino-3-(5-azaspiro[2.4]heptan-6-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl 6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone

C128H126BBrF12N24O13 — CID 159989075

About 1-[4-[8-amino-3-(5-azaspiro[2.4]heptan-6-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl 6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone

1-[4-[8-amino-3-(5-azaspiro[2.4]heptan-6-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl 6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone (PubChem CID 159989075) has the molecular formula C128H126BBrF12N24O13 and a molecular weight of 2527.26 g/mol. Its IUPAC name is 1-[4-[8-amino-3-(5-azaspiro[2.4]heptan-6-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl 6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone.

Molecular Properties

• Compound Name: 1-[4-[8-amino-3-(5-azaspiro[2.4]heptan-6-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl 6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
• PubChem CID: 159989075
• Molecular Formula: C128H126BBrF12N24O13
• Molecular Weight: 2527.26 g/mol
• Exact Mass: 2524.90
• IUPAC Name: 1-[4-[8-amino-3-(5-azaspiro[2.4]heptan-6-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl 6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone
• SMILES: CC#CC(=O)N1CC2(CC2)CC1c1nc(-c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2)c2c(N)nccn12.CC#CC(=O)O.CC(C)(C)OC(=O)N1CC2(CC2)CC1c1nc(-c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2)c2c(N)nccn12.CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1nc(Br)c2c(N)nccn12.CC1(C)OB(c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2)OC1(C)C.Nc1nccn2c(C3CC4(CC4)CN3)nc(-c3ccc(C(=O)Cc4cc(C(F)(F)F)ccn4)cc3)c12
• InChI: InChI=1S/C31H31F3N6O3.C30H25F3N6O2.C26H23F3N6O.C20H21BF3NO3.C17H22BrN5O2.C4H4O2/c1-29(2,3)43-28(42)40-17-30(9-10-30)16-22(40)27-38-24(25-26(35)37-12-13-39(25)27)19-6-4-18(5-7-19)23(41)15-21-14-20(8-11-36-21)31(32,33)34;1-2-3-24(41)39-17-29(9-10-29)16-22(39)28-37-25(26-27(34)36-12-13-38(26)28)19-6-4-18(5-7-19)23(40)15-21-14-20(8-11-35-21)30(31,32)33;27-26(28,29)17-5-8-31-18(11-17)12-20(36)15-1-3-16(4-2-15)21-22-23(30)32-9-10-35(22)24(34-21)19-13-25(6-7-25)14-33-19;1-18(2)19(3,4)28-21(27-18)15-7-5-13(6-8-15)17(26)12-16-11-14(9-10-25-16)20(22,23)24;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/h4-8,11-14,22H,9-10,15-17H2,1-3H3,(H2,35,37);4-8,11-14,22H,9-10,15-17H2,1H3,(H2,34,36);1-5,8-11,19,33H,6-7,12-14H2,(H2,30,32);5-11H,12H2,1-4H3;6-7,10H,4-5,8-9H2,1-3H3,(H2,19,20);1H3,(H,5,6)/t;;;;10-;/m....0./s1
• InChIKey: OGSDZYIYLPOUHA-AASBAUKVSA-N
• XLogP: 23.26
• TPSA: 491.86 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 33
• Rotatable Bonds: 20
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2527.26
LogP ≤ 5	23.26
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	33

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-(5-azaspiro[2.4]heptan-6-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl 6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone?

The IUPAC name of 1-[4-[8-amino-3-(5-azaspiro[2.4]heptan-6-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl 6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone (CID 159989075) is 1-[4-[8-amino-3-(5-azaspiro[2.4]heptan-6-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl 6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone.

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

The canonical SMILES for 1-[4-[8-amino-3-(5-azaspiro[2.4]heptan-6-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl 6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone is CC#CC(=O)N1CC2(CC2)CC1c1nc(-c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2)c2c(N)nccn12.CC#CC(=O)O.CC(C)(C)OC(=O)N1CC2(CC2)CC1c1nc(-c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2)c2c(N)nccn12.CC(C)(C)OC(=O)N1CC2(CC2)C[C@H]1c1nc(Br)c2c(N)nccn12.CC1(C)OB(c2ccc(C(=O)Cc3cc(C(F)(F)F)ccn3)cc2)OC1(C)C.Nc1nccn2c(C3CC4(CC4)CN3)nc(-c3ccc(C(=O)Cc4cc(C(F)(F)F)ccn4)cc3)c12.

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

The InChIKey is OGSDZYIYLPOUHA-AASBAUKVSA-N. The full InChI is InChI=1S/C31H31F3N6O3.C30H25F3N6O2.C26H23F3N6O.C20H21BF3NO3.C17H22BrN5O2.C4H4O2/c1-29(2,3)43-28(42)40-17-30(9-10-30)16-22(40)27-38-24(25-26(35)37-12-13-39(25)27)19-6-4-18(5-7-19)23(41)15-21-14-20(8-11-36-21)31(32,33)34;1-2-3-24(41)39-17-29(9-10-29)16-22(39)28-37-25(26-27(34)36-12-13-38(26)28)19-6-4-18(5-7-19)23(40)15-21-14-20(8-11-35-21)30(31,32)33;27-26(28,29)17-5-8-31-18(11-17)12-20(36)15-1-3-16(4-2-15)21-22-23(30)32-9-10-35(22)24(34-21)19-13-25(6-7-25)14-33-19;1-18(2)19(3,4)28-21(27-18)15-7-5-13(6-8-15)17(26)12-16-11-14(9-10-25-16)20(22,23)24;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/h4-8,11-14,22H,9-10,15-17H2,1-3H3,(H2,35,37);4-8,11-14,22H,9-10,15-17H2,1H3,(H2,34,36);1-5,8-11,19,33H,6-7,12-14H2,(H2,30,32);5-11H,12H2,1-4H3;6-7,10H,4-5,8-9H2,1-3H3,(H2,19,20);1H3,(H,5,6)/t;;;;10-;/m....0./s1.

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

1-[4-[8-amino-3-(5-azaspiro[2.4]heptan-6-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl 6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone has a molecular weight of 2527.26 g/mol, XLogP of 23.26, 20 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[8-amino-3-(5-azaspiro[2.4]heptan-6-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone;1-[6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptan-5-yl]but-2-yn-1-one;tert-butyl (6S)-6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-5-azaspiro[2.4]heptane-5-carboxylate;tert-butyl 6-[8-amino-1-[4-[2-[4-(trifluoromethyl)-2-pyridinyl]acetyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-5-azaspiro[2.4]heptane-5-carboxylate;but-2-ynoic acid;1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-[4-(trifluoromethyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 159989075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).