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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide

C80H79N21O3S2 — CID 91360571

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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide (PubChem CID 91360571) has the molecular formula C80H79N21O3S2 and a molecular weight of 1446.79 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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
• PubChem CID: 91360571
• Molecular Formula: C80H79N21O3S2
• Molecular Weight: 1446.79 g/mol
• Exact Mass: 1445.61
• 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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide
• SMILES: C#Cc1cccc2cc(-c3nc(C4CCC(C(=O)Nc5ccccc5)CC4)n4ccnc(N)c34)[nH]c12.CN(C)C(=O)C1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1.CN(C)C(=O)N1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1
• InChI: InChI=1S/C29H26N6O.C26H27N7OS.C25H26N8OS/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;1-32(2)26(34)16-8-6-15(7-9-16)24-31-21(22-23(27)28-10-12-33(22)24)19-14-17-4-3-5-18(20(17)30-19)25-29-11-13-35-25;1-31(2)25(34)32-10-6-15(7-11-32)23-30-20(21-22(26)27-8-12-33(21)23)18-14-16-4-3-5-17(19(16)29-18)24-28-9-13-35-24/h1,3-10,15-17,19-20,33H,11-14H2,(H2,30,31)(H,32,36);3-5,10-16,30H,6-9H2,1-2H3,(H2,27,28);3-5,8-9,12-15,29H,6-7,10-11H2,1-2H3,(H2,26,27)
• InChIKey: ASTACBCRQXCUCN-UHFFFAOYSA-N
• XLogP: 14.74
• TPSA: 314.74 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 11
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1446.79
LogP ≤ 5	14.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide (CID 91360571) 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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide is C#Cc1cccc2cc(-c3nc(C4CCC(C(=O)Nc5ccccc5)CC4)n4ccnc(N)c34)[nH]c12.CN(C)C(=O)C1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1.CN(C)C(=O)N1CCC(c2nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c3c(N)nccn23)CC1.

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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide?

The InChIKey is ASTACBCRQXCUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O.C26H27N7OS.C25H26N8OS/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;1-32(2)26(34)16-8-6-15(7-9-16)24-31-21(22-23(27)28-10-12-33(22)24)19-14-17-4-3-5-18(20(17)30-19)25-29-11-13-35-25;1-31(2)25(34)32-10-6-15(7-11-32)23-30-20(21-22(26)27-8-12-33(21)23)18-14-16-4-3-5-17(19(16)29-18)24-28-9-13-35-24/h1,3-10,15-17,19-20,33H,11-14H2,(H2,30,31)(H,32,36);3-5,10-16,30H,6-9H2,1-2H3,(H2,27,28);3-5,8-9,12-15,29H,6-7,10-11H2,1-2H3,(H2,26,27).

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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide has a molecular weight of 1446.79 g/mol, XLogP of 14.74, 11 rotatable bonds, 7 hydrogen bond donors, and 19 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-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylcyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide is sourced from PubChem (CID 91360571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).