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-(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

C81H80N20O3S2 — CID 159609513

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-(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

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-(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 159609513) has the molecular formula C81H80N20O3S2 and a molecular weight of 1445.80 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-(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: 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-(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: 159609513
• Molecular Formula: C81H80N20O3S2
• Molecular Weight: 1445.80 g/mol
• Exact Mass: 1444.62
• 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-(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)Cc5ccccc5)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/C30H27N5O.C26H27N7OS.C25H26N8OS/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;1-32(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/h1,3-10,15-16,18,21-22,33H,11-14,17H2,(H2,31,32);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: MMMPOIGDNNRCMT-UHFFFAOYSA-N
• XLogP: 14.92
• TPSA: 302.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 12
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1445.80
LogP ≤ 5	14.92
H-Bond Donors ≤ 5	6
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 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-(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 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-(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 159609513) 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-(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 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-(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 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-(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)Cc5ccccc5)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 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-(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 MMMPOIGDNNRCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O.C26H27N7OS.C25H26N8OS/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;1-32(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/h1,3-10,15-16,18,21-22,33H,11-14,17H2,(H2,31,32);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 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-(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?

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-(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 1445.80 g/mol, XLogP of 14.92, 12 rotatable bonds, 6 hydrogen bond donors, and 19 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-(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 159609513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).