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

C102H101N21O5S3 — CID 91109406

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

4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-phenylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide (PubChem CID 91109406) has the molecular formula C102H101N21O5S3 and a molecular weight of 1797.27 g/mol. Its IUPAC name is 4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-phenylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-phenylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide
• PubChem CID: 91109406
• Molecular Formula: C102H101N21O5S3
• Molecular Weight: 1797.27 g/mol
• Exact Mass: 1795.75
• IUPAC Name: 4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-phenylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide
• SMILES: C#Cc1cccc2cc(-c3nc(C4CCC(C(=O)Nc5ccccc5)CC4)n4ccnc(N)c34)[nH]c12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)N(C)C)CC4)n4ccnc(N)c34)sc12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)Nc5cccnc5)CC4)n4ccnc(N)c34)sc12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)sc12
• InChI: InChI=1S/C29H26N6O.C27H26N6OS.C24H27N5OS.C22H22N4O2S/c1-2-18-7-6-8-21-17-23(33-24(18)21)25-26-27(30)31-15-16-35(26)28(34-25)19-11-13-20(14-12-19)29(36)32-22-9-4-3-5-10-22;1-16-4-2-5-19-14-21(35-24(16)19)22-23-25(28)30-12-13-33(23)26(32-22)17-7-9-18(10-8-17)27(34)31-20-6-3-11-29-15-20;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/h1,3-10,15-17,19-20,33H,11-14H2,(H2,30,31)(H,32,36);2-6,11-15,17-18H,7-10H2,1H3,(H2,28,30)(H,31,34);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: HADLLGYXBLKATG-UHFFFAOYSA-N
• XLogP: 20.89
• TPSA: 369.33 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1797.27
LogP ≤ 5	20.89
H-Bond Donors ≤ 5	8
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-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-phenylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide?

The IUPAC name of 4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-phenylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide (CID 91109406) is 4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-phenylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide.

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

The canonical SMILES for 4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-phenylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide is C#Cc1cccc2cc(-c3nc(C4CCC(C(=O)Nc5ccccc5)CC4)n4ccnc(N)c34)[nH]c12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)N(C)C)CC4)n4ccnc(N)c34)sc12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)Nc5cccnc5)CC4)n4ccnc(N)c34)sc12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)sc12.

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

The InChIKey is HADLLGYXBLKATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O.C27H26N6OS.C24H27N5OS.C22H22N4O2S/c1-2-18-7-6-8-21-17-23(33-24(18)21)25-26-27(30)31-15-16-35(26)28(34-25)19-11-13-20(14-12-19)29(36)32-22-9-4-3-5-10-22;1-16-4-2-5-19-14-21(35-24(16)19)22-23-25(28)30-12-13-33(23)26(32-22)17-7-9-18(10-8-17)27(34)31-20-6-3-11-29-15-20;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/h1,3-10,15-17,19-20,33H,11-14H2,(H2,30,31)(H,32,36);2-6,11-15,17-18H,7-10H2,1H3,(H2,28,30)(H,31,34);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 4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-phenylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide?

4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-phenylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide has a molecular weight of 1797.27 g/mol, XLogP of 20.89, 14 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-1-(7-ethynyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-phenylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N-pyridin-3-ylcyclohexane-1-carboxamide is sourced from PubChem (CID 91109406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).