4-[8-amino-1-(7-ethynyl-1H-indol-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]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid

C89H85N21O9S2 — CID 123664117

About 4-[8-amino-1-(7-ethynyl-1H-indol-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]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid

4-[8-amino-1-(7-ethynyl-1H-indol-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]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid (PubChem CID 123664117) has the molecular formula C89H85N21O9S2 and a molecular weight of 1656.93 g/mol. Its IUPAC name is 4-[8-amino-1-(7-ethynyl-1H-indol-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]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[8-amino-1-(7-ethynyl-1H-indol-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]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
• PubChem CID: 123664117
• Molecular Formula: C89H85N21O9S2
• Molecular Weight: 1656.93 g/mol
• Exact Mass: 1655.63
• IUPAC Name: 4-[8-amino-1-(7-ethynyl-1H-indol-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]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
• SMILES: C#Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)[nH]c12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)sc12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4c([nH]3)C(=O)N=CC4)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c12
• InChI: InChI=1S/C24H22N6O2S.C23H21N5O2.C22H22N4O2S.C20H20N6O3/c25-21-20-19(17-12-15-2-1-3-16(18(15)28-17)23-27-9-11-33-23)29-22(30(20)10-8-26-21)13-4-6-14(7-5-13)24(31)32;1-2-13-4-3-5-16-12-17(26-18(13)16)19-20-21(24)25-10-11-28(20)22(27-19)14-6-8-15(9-7-14)23(29)30;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;21-17-16-15(13-9-12-5-6-23-19(27)14(12)24-13)25-18(26(16)8-7-22-17)10-1-3-11(4-2-10)20(28)29/h1-3,8-14,28H,4-7H2,(H2,25,26)(H,31,32);1,3-5,10-12,14-15,26H,6-9H2,(H2,24,25)(H,29,30);2-4,9-11,13-14H,5-8H2,1H3,(H2,23,24)(H,27,28);6-11,24H,1-5H2,(H2,21,22)(H,28,29)
• InChIKey: VCZTZMGGJBMTNQ-UHFFFAOYSA-N
• XLogP: 16.03
• TPSA: 463.73 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1656.93
LogP ≤ 5	16.03
H-Bond Donors ≤ 5	11
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]cyclohexane-1-carboxylic acid;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-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?

The IUPAC name of 4-[8-amino-1-(7-ethynyl-1H-indol-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]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid (CID 123664117) is 4-[8-amino-1-(7-ethynyl-1H-indol-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]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid.

What is the SMILES notation for 4-[8-amino-1-(7-ethynyl-1H-indol-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]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?

The canonical SMILES for 4-[8-amino-1-(7-ethynyl-1H-indol-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]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid is C#Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)[nH]c12.Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)sc12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4c([nH]3)C(=O)N=CC4)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c12.

What is the InChIKey of 4-[8-amino-1-(7-ethynyl-1H-indol-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]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?

The InChIKey is VCZTZMGGJBMTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S.C23H21N5O2.C22H22N4O2S.C20H20N6O3/c25-21-20-19(17-12-15-2-1-3-16(18(15)28-17)23-27-9-11-33-23)29-22(30(20)10-8-26-21)13-4-6-14(7-5-13)24(31)32;1-2-13-4-3-5-16-12-17(26-18(13)16)19-20-21(24)25-10-11-28(20)22(27-19)14-6-8-15(9-7-14)23(29)30;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;21-17-16-15(13-9-12-5-6-23-19(27)14(12)24-13)25-18(26(16)8-7-22-17)10-1-3-11(4-2-10)20(28)29/h1-3,8-14,28H,4-7H2,(H2,25,26)(H,31,32);1,3-5,10-12,14-15,26H,6-9H2,(H2,24,25)(H,29,30);2-4,9-11,13-14H,5-8H2,1H3,(H2,23,24)(H,27,28);6-11,24H,1-5H2,(H2,21,22)(H,28,29).

What are the key properties of 4-[8-amino-1-(7-ethynyl-1H-indol-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]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?

4-[8-amino-1-(7-ethynyl-1H-indol-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]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid has a molecular weight of 1656.93 g/mol, XLogP of 16.03, 13 rotatable bonds, 11 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]cyclohexane-1-carboxylic acid;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-oxo-1,4-dihydropyrrolo[2,3-c]pyridin-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 123664117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).