N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C138H142B3Br2N25O18 — CID 161269924

About N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 161269924) has the molecular formula C138H142B3Br2N25O18 and a molecular weight of 2631.05 g/mol. Its IUPAC name is N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;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: N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 161269924
• Molecular Formula: C138H142B3Br2N25O18
• Molecular Weight: 2631.05 g/mol
• Exact Mass: 2627.96
• IUPAC Name: N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• SMILES: CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(NC(=O)c3ccccn3)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(CC(=O)c3ccccn3)cc2)OC1(C)C.Nc1ccc(Br)cc1.Nc1nccn2c([C@@H]3CCCN3)nc(-c3ccc(NC(=O)c4ccccn4)cc3)c12.Nc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)nc(-c3ccc(NC(=O)c4ccccn4)cc3)c12.O=C(Cc1ccc(Br)cc1)c1ccccn1.O=C(O)c1ccccn1
• InChI: InChI=1S/C30H27N7O3.C26H23N7O2.C22H21N7O.C19H22BNO3.C13H10BrNO.C12H24B2O4.C6H6BrN.C6H5NO2.C4H4O2/c31-27-26-25(21-11-13-22(14-12-21)34-29(38)23-9-4-5-15-32-23)35-28(37(26)18-16-33-27)24-10-6-17-36(24)30(39)40-19-20-7-2-1-3-8-20;1-2-6-21(34)32-15-5-8-20(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)30-26(35)19-7-3-4-13-28-19;23-20-19-18(28-21(16-5-3-11-24-16)29(19)13-12-26-20)14-6-8-15(9-7-14)27-22(30)17-4-1-2-10-25-17;1-18(2)19(3,4)24-20(23-18)15-10-8-14(9-11-15)13-17(22)16-7-5-6-12-21-16;14-11-6-4-10(5-7-11)9-13(16)12-3-1-2-8-15-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;7-5-1-3-6(8)4-2-5;8-6(9)5-3-1-2-4-7-5;1-2-3-4(5)6/h1-5,7-9,11-16,18,24H,6,10,17,19H2,(H2,31,33)(H,34,38);3-4,7,9-14,16,20H,5,8,15H2,1H3,(H2,27,29)(H,30,35);1-2,4,6-10,12-13,16,24H,3,5,11H2,(H2,23,26)(H,27,30);5-12H,13H2,1-4H3;1-8H,9H2;1-8H3;1-4H,8H2;1-4H,(H,8,9);1H3,(H,5,6)/t24-;20-;16-;;;;;;/m000....../s1
• InChIKey: VDRFAEFQQVNENF-ZXUJJATASA-N
• XLogP: 22.69
• TPSA: 585.29 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 36
• Rotatable Bonds: 23
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2631.05
LogP ≤ 5	22.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', '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 N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;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 N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 161269924) is N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;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 N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;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 N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(NC(=O)c3ccccn3)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(CC(=O)c3ccccn3)cc2)OC1(C)C.Nc1ccc(Br)cc1.Nc1nccn2c([C@@H]3CCCN3)nc(-c3ccc(NC(=O)c4ccccn4)cc3)c12.Nc1nccn2c([C@@H]3CCCN3C(=O)OCc3ccccc3)nc(-c3ccc(NC(=O)c4ccccn4)cc3)c12.O=C(Cc1ccc(Br)cc1)c1ccccn1.O=C(O)c1ccccn1.

What is the InChIKey of N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is VDRFAEFQQVNENF-ZXUJJATASA-N. The full InChI is InChI=1S/C30H27N7O3.C26H23N7O2.C22H21N7O.C19H22BNO3.C13H10BrNO.C12H24B2O4.C6H6BrN.C6H5NO2.C4H4O2/c31-27-26-25(21-11-13-22(14-12-21)34-29(38)23-9-4-5-15-32-23)35-28(37(26)18-16-33-27)24-10-6-17-36(24)30(39)40-19-20-7-2-1-3-8-20;1-2-6-21(34)32-15-5-8-20(32)25-31-22(23-24(27)29-14-16-33(23)25)17-9-11-18(12-10-17)30-26(35)19-7-3-4-13-28-19;23-20-19-18(28-21(16-5-3-11-24-16)29(19)13-12-26-20)14-6-8-15(9-7-14)27-22(30)17-4-1-2-10-25-17;1-18(2)19(3,4)24-20(23-18)15-10-8-14(9-11-15)13-17(22)16-7-5-6-12-21-16;14-11-6-4-10(5-7-11)9-13(16)12-3-1-2-8-15-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;7-5-1-3-6(8)4-2-5;8-6(9)5-3-1-2-4-7-5;1-2-3-4(5)6/h1-5,7-9,11-16,18,24H,6,10,17,19H2,(H2,31,33)(H,34,38);3-4,7,9-14,16,20H,5,8,15H2,1H3,(H2,27,29)(H,30,35);1-2,4,6-10,12-13,16,24H,3,5,11H2,(H2,23,26)(H,27,30);5-12H,13H2,1-4H3;1-8H,9H2;1-8H3;1-4H,8H2;1-4H,(H,8,9);1H3,(H,5,6)/t24-;20-;16-;;;;;;/m000....../s1.

What are the key properties of N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;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 2631.05 g/mol, XLogP of 22.69, 23 rotatable bonds, 10 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;N-[4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]phenyl]pyridine-2-carboxamide;benzyl (2S)-2-[8-amino-1-[4-(pyridine-2-carbonylamino)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;4-bromoaniline;2-(4-bromophenyl)-1-pyridin-2-ylethanone;but-2-ynoic acid;pyridine-2-carboxylic acid;1-pyridin-2-yl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanone;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 161269924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).