1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide

C104H103N19O5S3 — CID 123705991

About 1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide

1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide (PubChem CID 123705991) has the molecular formula C104H103N19O5S3 and a molecular weight of 1795.30 g/mol. Its IUPAC name is 1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide
• PubChem CID: 123705991
• Molecular Formula: C104H103N19O5S3
• Molecular Weight: 1795.30 g/mol
• Exact Mass: 1793.76
• IUPAC Name: 1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide
• SMILES: C#Cc1cccc2cc(-c3nc(C4CCC(C(=O)Cc5ccccc5)CC4)n4ccnc(N)c34)[nH]c12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)Cc5cccnc5)CC4)n4ccnc(N)c34)sc12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)N(C)C)CC4)n4ccnc(N)c34)sc12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)sc12
• InChI: InChI=1S/C30H27N5O.C28H27N5OS.C24H27N5OS.C22H22N4O2S/c1-2-20-9-6-10-23-18-24(33-26(20)23)27-28-29(31)32-15-16-35(28)30(34-27)22-13-11-21(12-14-22)25(36)17-19-7-4-3-5-8-19;1-17-4-2-6-21-15-23(35-26(17)21)24-25-27(29)31-12-13-33(25)28(32-24)20-9-7-19(8-10-20)22(34)14-18-5-3-11-30-16-18;1-14-5-4-6-17-13-18(31-21(14)17)19-20-22(25)26-11-12-29(20)23(27-19)15-7-9-16(10-8-15)24(30)28(2)3;1-12-3-2-4-15-11-16(29-19(12)15)17-18-20(23)24-9-10-26(18)21(25-17)13-5-7-14(8-6-13)22(27)28/h1,3-10,15-16,18,21-22,33H,11-14,17H2,(H2,31,32);2-6,11-13,15-16,19-20H,7-10,14H2,1H3,(H2,29,31);4-6,11-13,15-16H,7-10H2,1-3H3,(H2,25,26);2-4,9-11,13-14H,5-8H2,1H3,(H2,23,24)(H,27,28)
• InChIKey: DMYYCYAUAVRCBF-UHFFFAOYSA-N
• XLogP: 21.23
• TPSA: 345.27 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1795.30
LogP ≤ 5	21.23
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 1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide?

The IUPAC name of 1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide (CID 123705991) is 1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide.

What is the SMILES notation for 1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide?

The canonical SMILES for 1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide is C#Cc1cccc2cc(-c3nc(C4CCC(C(=O)Cc5ccccc5)CC4)n4ccnc(N)c34)[nH]c12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)Cc5cccnc5)CC4)n4ccnc(N)c34)sc12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)N(C)C)CC4)n4ccnc(N)c34)sc12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)sc12.

What is the InChIKey of 1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide?

The InChIKey is DMYYCYAUAVRCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O.C28H27N5OS.C24H27N5OS.C22H22N4O2S/c1-2-20-9-6-10-23-18-24(33-26(20)23)27-28-29(31)32-15-16-35(28)30(34-27)22-13-11-21(12-14-22)25(36)17-19-7-4-3-5-8-19;1-17-4-2-6-21-15-23(35-26(17)21)24-25-27(29)31-12-13-33(25)28(32-24)20-9-7-19(8-10-20)22(34)14-18-5-3-11-30-16-18;1-14-5-4-6-17-13-18(31-21(14)17)19-20-22(25)26-11-12-29(20)23(27-19)15-7-9-16(10-8-15)24(30)28(2)3;1-12-3-2-4-15-11-16(29-19(12)15)17-18-20(23)24-9-10-26(18)21(25-17)13-5-7-14(8-6-13)22(27)28/h1,3-10,15-16,18,21-22,33H,11-14,17H2,(H2,31,32);2-6,11-13,15-16,19-20H,7-10,14H2,1H3,(H2,29,31);4-6,11-13,15-16H,7-10H2,1-3H3,(H2,25,26);2-4,9-11,13-14H,5-8H2,1H3,(H2,23,24)(H,27,28).

What are the key properties of 1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide?

1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide has a molecular weight of 1795.30 g/mol, XLogP of 21.23, 16 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-phenylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;1-[4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]-2-pyridin-3-ylethanone;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 123705991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).