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

C77H79FN18O3S — CID 162125934

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

4-[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide (PubChem CID 162125934) has the molecular formula C77H79FN18O3S and a molecular weight of 1355.67 g/mol. Its IUPAC name is 4-[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

• Compound Name: 4-[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
• PubChem CID: 162125934
• Molecular Formula: C77H79FN18O3S
• Molecular Weight: 1355.67 g/mol
• Exact Mass: 1354.63
• IUPAC Name: 4-[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide
• SMILES: C#Cc1ccc(F)c2cc(-c3nc(C4CCC(CCC(C)=O)CC4)n4ccnc(N)c34)[nH]c12.C#Cc1cccc2cc(-c3nc(C4CCN(C(=O)N(C)C)CC4)n4ccnc(N)c34)[nH]c12.CC(=O)NCC1CCC(c2nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c3c(N)nccn23)CC1
• InChI: InChI=1S/C27H28N6OS.C26H26FN5O.C24H25N7O/c1-16(34)30-15-17-7-9-18(10-8-17)27-32-24(25-26(28)29-11-12-33(25)27)21-14-19-4-2-5-20(23(19)31-21)22-6-3-13-35-22;1-3-17-10-11-20(27)19-14-21(30-22(17)19)23-24-25(28)29-12-13-32(24)26(31-23)18-8-6-16(7-9-18)5-4-15(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/h2-6,11-14,17-18,31H,7-10,15H2,1H3,(H2,28,29)(H,30,34);1,10-14,16,18,30H,4-9H2,2H3,(H2,28,29);1,5-7,10,13-14,16,27H,8-9,11-12H2,2-3H3,(H2,25,26)
• InChIKey: ZIAHNJXLTZVZNH-UHFFFAOYSA-N
• XLogP: 14.12
• TPSA: 285.72 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1355.67
LogP ≤ 5	14.12
H-Bond Donors ≤ 5	7
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 4-[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide?

The IUPAC name of 4-[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide (CID 162125934) is 4-[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide.

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

The canonical SMILES for 4-[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide is C#Cc1ccc(F)c2cc(-c3nc(C4CCC(CCC(C)=O)CC4)n4ccnc(N)c34)[nH]c12.C#Cc1cccc2cc(-c3nc(C4CCN(C(=O)N(C)C)CC4)n4ccnc(N)c34)[nH]c12.CC(=O)NCC1CCC(c2nc(-c3cc4cccc(-c5cccs5)c4[nH]3)c3c(N)nccn23)CC1.

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

The InChIKey is ZIAHNJXLTZVZNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6OS.C26H26FN5O.C24H25N7O/c1-16(34)30-15-17-7-9-18(10-8-17)27-32-24(25-26(28)29-11-12-33(25)27)21-14-19-4-2-5-20(23(19)31-21)22-6-3-13-35-22;1-3-17-10-11-20(27)19-14-21(30-22(17)19)23-24-25(28)29-12-13-32(24)26(31-23)18-8-6-16(7-9-18)5-4-15(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/h2-6,11-14,17-18,31H,7-10,15H2,1H3,(H2,28,29)(H,30,34);1,10-14,16,18,30H,4-9H2,2H3,(H2,28,29);1,5-7,10,13-14,16,27H,8-9,11-12H2,2-3H3,(H2,25,26).

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

4-[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide has a molecular weight of 1355.67 g/mol, XLogP of 14.12, 12 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[8-amino-1-(7-ethynyl-4-fluoro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;N-[[4-[8-amino-1-(7-thiophen-2-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 162125934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).