N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide

C72H76FN19O4 — CID 91131458

About N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide

N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 91131458) has the molecular formula C72H76FN19O4 and a molecular weight of 1290.53 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
• PubChem CID: 91131458
• Molecular Formula: C72H76FN19O4
• Molecular Weight: 1290.53 g/mol
• Exact Mass: 1289.63
• IUPAC Name: N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
• SMILES: C#Cc1ccc(F)c2cc(-c3nc(C4CCC(CNC(C)=O)CC4)n4ccnc(N)c34)[nH]c12.C#Cc1cccc2cc(-c3nc(C4CCN(C(=O)N(C)C)CC4)n4ccnc(N)c34)[nH]c12.Cc1cccc2cc(-c3nc(C4CCN(C(=O)N(C)C)CC4)n4ccnc(N)c34)oc12
• InChI: InChI=1S/C25H25FN6O.C24H25N7O.C23H26N6O2/c1-3-16-8-9-19(26)18-12-20(30-21(16)18)22-23-24(27)28-10-11-32(23)25(31-22)17-6-4-15(5-7-17)13-29-14(2)33;1-4-15-6-5-7-17-14-18(27-19(15)17)20-21-22(25)26-10-13-31(21)23(28-20)16-8-11-30(12-9-16)24(32)29(2)3;1-14-5-4-6-16-13-17(31-20(14)16)18-19-21(24)25-9-12-29(19)22(26-18)15-7-10-28(11-8-15)23(30)27(2)3/h1,8-12,15,17,30H,4-7,13H2,2H3,(H2,27,28)(H,29,33);1,5-7,10,13-14,16,27H,8-9,11-12H2,2-3H3,(H2,25,26);4-6,9,12-13,15H,7-8,10-11H2,1-3H3,(H2,24,25)
• InChIKey: VEYUWKLAASDDNH-UHFFFAOYSA-N
• XLogP: 11.19
• TPSA: 289.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 16
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1290.53
LogP ≤ 5	11.19
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide?

The IUPAC name of N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide (CID 91131458) is N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide.

What is the SMILES notation for N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide?

The canonical SMILES for N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide is C#Cc1ccc(F)c2cc(-c3nc(C4CCC(CNC(C)=O)CC4)n4ccnc(N)c34)[nH]c12.C#Cc1cccc2cc(-c3nc(C4CCN(C(=O)N(C)C)CC4)n4ccnc(N)c34)[nH]c12.Cc1cccc2cc(-c3nc(C4CCN(C(=O)N(C)C)CC4)n4ccnc(N)c34)oc12.

What is the InChIKey of N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide?

The InChIKey is VEYUWKLAASDDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN6O.C24H25N7O.C23H26N6O2/c1-3-16-8-9-19(26)18-12-20(30-21(16)18)22-23-24(27)28-10-11-32(23)25(31-22)17-6-4-15(5-7-17)13-29-14(2)33;1-4-15-6-5-7-17-14-18(27-19(15)17)20-21-22(25)26-10-13-31(21)23(28-20)16-8-11-30(12-9-16)24(32)29(2)3;1-14-5-4-6-16-13-17(31-20(14)16)18-19-21(24)25-9-12-29(19)22(26-18)15-7-10-28(11-8-15)23(30)27(2)3/h1,8-12,15,17,30H,4-7,13H2,2H3,(H2,27,28)(H,29,33);1,5-7,10,13-14,16,27H,8-9,11-12H2,2-3H3,(H2,25,26);4-6,9,12-13,15H,7-8,10-11H2,1-3H3,(H2,24,25).

What are the key properties of N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide?

N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 1290.53 g/mol, XLogP of 11.19, 8 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 91131458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).