4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide

C78H77N21O9S — CID 157321733

About 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide

4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 157321733) has the molecular formula C78H77N21O9S and a molecular weight of 1484.68 g/mol. Its IUPAC name is 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide
• PubChem CID: 157321733
• Molecular Formula: C78H77N21O9S
• Molecular Weight: 1484.68 g/mol
• Exact Mass: 1483.59
• IUPAC Name: 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide
• SMILES: CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(C(=O)Nc3cc(C)ccn3)c(OC)c2)c2c(N)nccn12.CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cscn3)cc2)c2c(N)nccn12.COC/C=C/C(=O)N[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)c(OC)c2)c2c(N)nccn12
• InChI: InChI=1S/C27H29N7O4.C27H27N7O3.C24H21N7O2S/c1-16-7-10-21(30-15-16)32-27(36)19-9-8-18(14-20(19)38-4)23-24-25(28)29-11-12-34(24)26(33-23)17(2)31-22(35)6-5-13-37-3;1-6-7-22(35)33(4)17(3)26-32-23(24-25(28)30-12-13-34(24)26)18-8-9-19(20(15-18)37-5)27(36)31-21-14-16(2)10-11-29-21;1-2-4-19(32)30-11-3-5-17(30)23-29-20(21-22(25)26-10-12-31(21)23)15-6-8-16(9-7-15)24(33)28-18-13-34-14-27-18/h5-12,14-15,17H,13H2,1-4H3,(H2,28,29)(H,31,35)(H,30,32,36);8-15,17H,1-5H3,(H2,28,30)(H,29,31,36);6-10,12-14,17H,3,5,11H2,1H3,(H2,25,26)(H,28,33)/b6-5+;;/t3*17-/m000/s1
• InChIKey: BEFZJRJAVSCSAH-MBZNHBMLSA-N
• XLogP: 10.18
• TPSA: 392.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1484.68
LogP ≤ 5	10.18
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide?

The IUPAC name of 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide (CID 157321733) is 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide.

What is the SMILES notation for 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide?

The canonical SMILES for 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide is CC#CC(=O)N(C)[C@@H](C)c1nc(-c2ccc(C(=O)Nc3cc(C)ccn3)c(OC)c2)c2c(N)nccn12.CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3cscn3)cc2)c2c(N)nccn12.COC/C=C/C(=O)N[C@@H](C)c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)c(OC)c2)c2c(N)nccn12.

What is the InChIKey of 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide?

The InChIKey is BEFZJRJAVSCSAH-MBZNHBMLSA-N. The full InChI is InChI=1S/C27H29N7O4.C27H27N7O3.C24H21N7O2S/c1-16-7-10-21(30-15-16)32-27(36)19-9-8-18(14-20(19)38-4)23-24-25(28)29-11-12-34(24)26(33-23)17(2)31-22(35)6-5-13-37-3;1-6-7-22(35)33(4)17(3)26-32-23(24-25(28)30-12-13-34(24)26)18-8-9-19(20(15-18)37-5)27(36)31-21-14-16(2)10-11-29-21;1-2-4-19(32)30-11-3-5-17(30)23-29-20(21-22(25)26-10-12-31(21)23)15-6-8-16(9-7-15)24(33)28-18-13-34-14-27-18/h5-12,14-15,17H,13H2,1-4H3,(H2,28,29)(H,31,35)(H,30,32,36);8-15,17H,1-5H3,(H2,28,30)(H,29,31,36);6-10,12-14,17H,3,5,11H2,1H3,(H2,25,26)(H,28,33)/b6-5+;;/t3*17-/m000/s1.

What are the key properties of 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide?

4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 1484.68 g/mol, XLogP of 10.18, 19 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-3-[(1S)-1-[but-2-ynoyl(methyl)amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(1,3-thiazol-4-yl)benzamide;4-[8-amino-3-[(1S)-1-[[(E)-4-methoxybut-2-enoyl]amino]ethyl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 157321733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).