1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C130H133B3Br2FN21O17 — CID 158806288

About 1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 158806288) has the molecular formula C130H133B3Br2FN21O17 and a molecular weight of 2472.87 g/mol. Its IUPAC name is 1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

• Compound Name: 1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 158806288
• Molecular Formula: C130H133B3Br2FN21O17
• Molecular Weight: 2472.87 g/mol
• Exact Mass: 2469.88
• IUPAC Name: 1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: Brc1ccc(Oc2ccccn2)cc1.CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Oc3ccccn3)cc2)c2c(N)nccn12.CC#CC(=O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(Oc3ccccn3)cc2)OC1(C)C.Fc1ccccn1.Nc1nccn2c([C@@H]3CCCN3)nc(-c3ccc(Oc4ccccn4)cc3)c12.Nc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)nc(-c3ccc(Oc4ccccn4)cc3)c12.Oc1ccc(Br)cc1
• InChI: InChI=1S/C29H26N6O3.C25H22N6O2.C21H20N6O.C17H20BNO3.C12H24B2O4.C11H8BrNO.C6H5BrO.C5H4FN.C4H4O2/c30-27-26-25(21-11-13-22(14-12-21)38-24-10-4-5-15-31-24)33-28(35(26)18-16-32-27)23-9-6-17-34(23)29(36)37-19-20-7-2-1-3-8-20;1-2-6-21(32)30-15-5-7-19(30)25-29-22(23-24(26)28-14-16-31(23)25)17-9-11-18(12-10-17)33-20-8-3-4-13-27-20;22-20-19-18(26-21(16-4-3-11-23-16)27(19)13-12-25-20)14-6-8-15(9-7-14)28-17-5-1-2-10-24-17;1-16(2)17(3,4)22-18(21-16)13-8-10-14(11-9-13)20-15-7-5-6-12-19-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11;7-5-1-3-6(8)4-2-5;6-5-3-1-2-4-7-5;1-2-3-4(5)6/h1-5,7-8,10-16,18,23H,6,9,17,19H2,(H2,30,32);3-4,8-14,16,19H,5,7,15H2,1H3,(H2,26,28);1-2,5-10,12-13,16,23H,3-4,11H2,(H2,22,25);5-12H,1-4H3;1-8H3;1-8H;1-4,8H;1-4H;1H3,(H,5,6)/t23-;19-;16-;;;;;;/m000....../s1
• InChIKey: IUCQZSCUHGUHHB-GUJMRAFPSA-N
• XLogP: 25.61
• TPSA: 466.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 35
• Rotatable Bonds: 20
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2472.87
LogP ≤ 5	25.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', '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 1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The IUPAC name of 1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 158806288) is 1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

What is the SMILES notation for 1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The canonical SMILES for 1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is Brc1ccc(Oc2ccccn2)cc1.CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(Oc3ccccn3)cc2)c2c(N)nccn12.CC#CC(=O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2ccc(Oc3ccccn3)cc2)OC1(C)C.Fc1ccccn1.Nc1nccn2c([C@@H]3CCCN3)nc(-c3ccc(Oc4ccccn4)cc3)c12.Nc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)nc(-c3ccc(Oc4ccccn4)cc3)c12.Oc1ccc(Br)cc1.

What is the InChIKey of 1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is IUCQZSCUHGUHHB-GUJMRAFPSA-N. The full InChI is InChI=1S/C29H26N6O3.C25H22N6O2.C21H20N6O.C17H20BNO3.C12H24B2O4.C11H8BrNO.C6H5BrO.C5H4FN.C4H4O2/c30-27-26-25(21-11-13-22(14-12-21)38-24-10-4-5-15-31-24)33-28(35(26)18-16-32-27)23-9-6-17-34(23)29(36)37-19-20-7-2-1-3-8-20;1-2-6-21(32)30-15-5-7-19(30)25-29-22(23-24(26)28-14-16-31(23)25)17-9-11-18(12-10-17)33-20-8-3-4-13-27-20;22-20-19-18(26-21(16-4-3-11-23-16)27(19)13-12-25-20)14-6-8-15(9-7-14)28-17-5-1-2-10-24-17;1-16(2)17(3,4)22-18(21-16)13-8-10-14(11-9-13)20-15-7-5-6-12-19-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;12-9-4-6-10(7-5-9)14-11-3-1-2-8-13-11;7-5-1-3-6(8)4-2-5;6-5-3-1-2-4-7-5;1-2-3-4(5)6/h1-5,7-8,10-16,18,23H,6,9,17,19H2,(H2,30,32);3-4,8-14,16,19H,5,7,15H2,1H3,(H2,26,28);1-2,5-10,12-13,16,23H,3-4,11H2,(H2,22,25);5-12H,1-4H3;1-8H3;1-8H;1-4,8H;1-4H;1H3,(H,5,6)/t23-;19-;16-;;;;;;/m000....../s1.

What are the key properties of 1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 2472.87 g/mol, XLogP of 25.61, 20 rotatable bonds, 6 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]but-2-yn-1-one;benzyl (2S)-2-[8-amino-1-(4-pyridin-2-yloxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromophenol;2-(4-bromophenoxy)pyridine;but-2-ynoic acid;2-fluoropyridine;1-(4-pyridin-2-yloxyphenyl)-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-8-amine;2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 158806288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).