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

C80H75N21O8S — CID 157436163

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

4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide (PubChem CID 157436163) has the molecular formula C80H75N21O8S and a molecular weight of 1490.69 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-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

• Compound Name: 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide
• PubChem CID: 157436163
• Molecular Formula: C80H75N21O8S
• Molecular Weight: 1490.69 g/mol
• Exact Mass: 1489.58
• IUPAC Name: 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide
• SMILES: CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)c(OC)c2)c2c(N)nccn12.CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)cc2)c2c(N)nccn12.CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3nccs3)c(OC)c2)c2c(N)nccn12
• InChI: InChI=1S/C28H27N7O3.C27H25N7O2.C25H23N7O3S/c1-4-6-23(36)34-13-5-7-20(34)27-33-24(25-26(29)30-12-14-35(25)27)18-9-10-19(21(15-18)38-3)28(37)32-22-11-8-17(2)16-31-22;1-3-5-22(35)33-14-4-6-20(33)26-32-23(24-25(28)29-13-15-34(24)26)18-8-10-19(11-9-18)27(36)31-21-12-7-17(2)16-30-21;1-3-5-19(33)31-11-4-6-17(31)23-29-20(21-22(26)27-9-12-32(21)23)15-7-8-16(18(14-15)35-2)24(34)30-25-28-10-13-36-25/h8-12,14-16,20H,5,7,13H2,1-3H3,(H2,29,30)(H,31,32,37);7-13,15-16,20H,4,6,14H2,1-2H3,(H2,28,29)(H,30,31,36);7-10,12-14,17H,4,6,11H2,1-2H3,(H2,26,27)(H,28,30,34)/t2*20-;17-/m000/s1
• InChIKey: BRCXCHQEOISPAO-PXVLDTOYSA-N
• XLogP: 10.63
• TPSA: 373.99 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1490.69
LogP ≤ 5	10.63
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'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-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide?

The IUPAC name of 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide (CID 157436163) is 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide.

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

The canonical SMILES for 4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide is CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)c(OC)c2)c2c(N)nccn12.CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccc(C)cn3)cc2)c2c(N)nccn12.CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3nccs3)c(OC)c2)c2c(N)nccn12.

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

The InChIKey is BRCXCHQEOISPAO-PXVLDTOYSA-N. The full InChI is InChI=1S/C28H27N7O3.C27H25N7O2.C25H23N7O3S/c1-4-6-23(36)34-13-5-7-20(34)27-33-24(25-26(29)30-12-14-35(25)27)18-9-10-19(21(15-18)38-3)28(37)32-22-11-8-17(2)16-31-22;1-3-5-22(35)33-14-4-6-20(33)26-32-23(24-25(28)29-13-15-34(24)26)18-8-10-19(11-9-18)27(36)31-21-12-7-17(2)16-30-21;1-3-5-19(33)31-11-4-6-17(31)23-29-20(21-22(26)27-9-12-32(21)23)15-7-8-16(18(14-15)35-2)24(34)30-25-28-10-13-36-25/h8-12,14-16,20H,5,7,13H2,1-3H3,(H2,29,30)(H,31,32,37);7-13,15-16,20H,4,6,14H2,1-2H3,(H2,28,29)(H,30,31,36);7-10,12-14,17H,4,6,11H2,1-2H3,(H2,26,27)(H,28,30,34)/t2*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-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide?

4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 1490.69 g/mol, XLogP of 10.63, 14 rotatable bonds, 6 hydrogen bond donors, and 24 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-methoxy-N-(5-methyl-2-pyridinyl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-(1,3-thiazol-2-yl)benzamide;4-[8-amino-3-[(2S)-1-but-2-ynoylpyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 157436163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).