4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C142H152B3Br2N27O18 — CID 159454073

About 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159454073) has the molecular formula C142H152B3Br2N27O18 and a molecular weight of 2717.19 g/mol. Its IUPAC name is 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;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: 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
• PubChem CID: 159454073
• Molecular Formula: C142H152B3Br2N27O18
• Molecular Weight: 2717.19 g/mol
• Exact Mass: 2714.05
• IUPAC Name: 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;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(C(=O)Nc3ccccn3)c(C)c2)c2c(N)nccn12.CC#CC(=O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(-c2nc([C@@H]3CCCN3)n3ccnc(N)c23)ccc1C(=O)Nc1ccccn1.Cc1cc(-c2nc([C@@H]3CCCN3C(=O)OCc3ccccc3)n3ccnc(N)c23)ccc1C(=O)Nc1ccccn1.Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)Nc1ccccn1.Cc1cc(Br)ccc1C(=O)Nc1ccccn1.Cc1cc(Br)ccc1OC=O.Nc1ccccn1
• InChI: InChI=1S/C31H29N7O3.C27H25N7O2.C23H23N7O.C19H23BN2O3.C13H11BrN2O.C12H24B2O4.C8H7BrO2.C5H6N2.C4H4O2/c1-20-18-22(12-13-23(20)30(39)35-25-11-5-6-14-33-25)26-27-28(32)34-15-17-38(27)29(36-26)24-10-7-16-37(24)31(40)41-19-21-8-3-2-4-9-21;1-3-7-22(35)33-14-6-8-20(33)26-32-23(24-25(28)30-13-15-34(24)26)18-10-11-19(17(2)16-18)27(36)31-21-9-4-5-12-29-21;1-14-13-15(7-8-16(14)23(31)28-18-6-2-3-9-26-18)19-20-21(24)27-11-12-30(20)22(29-19)17-5-4-10-25-17;1-13-12-14(20-24-18(2,3)19(4,5)25-20)9-10-15(13)17(23)22-16-8-6-7-11-21-16;1-9-8-10(14)5-6-11(9)13(17)16-12-4-2-3-7-15-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-4-7(9)2-3-8(6)11-5-10;6-5-3-1-2-4-7-5;1-2-3-4(5)6/h2-6,8-9,11-15,17-18,24H,7,10,16,19H2,1H3,(H2,32,34)(H,33,35,39);4-5,9-13,15-16,20H,6,8,14H2,1-2H3,(H2,28,30)(H,29,31,36);2-3,6-9,11-13,17,25H,4-5,10H2,1H3,(H2,24,27)(H,26,28,31);6-12H,1-5H3,(H,21,22,23);2-8H,1H3,(H,15,16,17);1-8H3;2-5H,1H3;1-4H,(H2,6,7);1H3,(H,5,6)/t24-;20-;17-;;;;;;/m000....../s1
• InChIKey: LTSZHTDMMZCIME-NRSDJXEKSA-N
• XLogP: 24.03
• TPSA: 598.35 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 37
• Rotatable Bonds: 22
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2717.19
LogP ≤ 5	24.03
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', '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 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;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 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159454073) is 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;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 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;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 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;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(C(=O)Nc3ccccn3)c(C)c2)c2c(N)nccn12.CC#CC(=O)O.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.Cc1cc(-c2nc([C@@H]3CCCN3)n3ccnc(N)c23)ccc1C(=O)Nc1ccccn1.Cc1cc(-c2nc([C@@H]3CCCN3C(=O)OCc3ccccc3)n3ccnc(N)c23)ccc1C(=O)Nc1ccccn1.Cc1cc(B2OC(C)(C)C(C)(C)O2)ccc1C(=O)Nc1ccccn1.Cc1cc(Br)ccc1C(=O)Nc1ccccn1.Cc1cc(Br)ccc1OC=O.Nc1ccccn1.

What is the InChIKey of 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

The InChIKey is LTSZHTDMMZCIME-NRSDJXEKSA-N. The full InChI is InChI=1S/C31H29N7O3.C27H25N7O2.C23H23N7O.C19H23BN2O3.C13H11BrN2O.C12H24B2O4.C8H7BrO2.C5H6N2.C4H4O2/c1-20-18-22(12-13-23(20)30(39)35-25-11-5-6-14-33-25)26-27-28(32)34-15-17-38(27)29(36-26)24-10-7-16-37(24)31(40)41-19-21-8-3-2-4-9-21;1-3-7-22(35)33-14-6-8-20(33)26-32-23(24-25(28)30-13-15-34(24)26)18-10-11-19(17(2)16-18)27(36)31-21-9-4-5-12-29-21;1-14-13-15(7-8-16(14)23(31)28-18-6-2-3-9-26-18)19-20-21(24)27-11-12-30(20)22(29-19)17-5-4-10-25-17;1-13-12-14(20-24-18(2,3)19(4,5)25-20)9-10-15(13)17(23)22-16-8-6-7-11-21-16;1-9-8-10(14)5-6-11(9)13(17)16-12-4-2-3-7-15-12;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;1-6-4-7(9)2-3-8(6)11-5-10;6-5-3-1-2-4-7-5;1-2-3-4(5)6/h2-6,8-9,11-15,17-18,24H,7,10,16,19H2,1H3,(H2,32,34)(H,33,35,39);4-5,9-13,15-16,20H,6,8,14H2,1-2H3,(H2,28,30)(H,29,31,36);2-3,6-9,11-13,17,25H,4-5,10H2,1H3,(H2,24,27)(H,26,28,31);6-12H,1-5H3,(H,21,22,23);2-8H,1H3,(H,15,16,17);1-8H3;2-5H,1H3;1-4H,(H2,6,7);1H3,(H,5,6)/t24-;20-;17-;;;;;;/m000....../s1.

What are the key properties of 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?

4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;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 2717.19 g/mol, XLogP of 24.03, 22 rotatable bonds, 11 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methyl-N-pyridin-2-ylbenzamide;benzyl (2S)-2-[8-amino-1-[3-methyl-4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate;(4-bromo-2-methylphenyl) formate;4-bromo-2-methyl-N-pyridin-2-ylbenzamide;but-2-ynoic acid;2-methyl-N-pyridin-2-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide;pyridin-2-amine;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 159454073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).