4-[8-amino-1-(7-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid

C97H96F3N21O8S — CID 158065296

About 4-[8-amino-1-(7-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid

4-[8-amino-1-(7-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid (PubChem CID 158065296) has the molecular formula C97H96F3N21O8S and a molecular weight of 1773.03 g/mol. Its IUPAC name is 4-[8-amino-1-(7-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: 4-[8-amino-1-(7-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
• PubChem CID: 158065296
• Molecular Formula: C97H96F3N21O8S
• Molecular Weight: 1773.03 g/mol
• Exact Mass: 1771.74
• IUPAC Name: 4-[8-amino-1-(7-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid
• SMILES: CC(C)c1cccc(-c2cccc3cc(-c4nc(C5CCC(C(=O)O)CC5)n5ncnc(N)c45)[nH]c23)c1.CC1(O)CC(c2nc(C3=CC4N=C(c5ccccc5)SC4C=C3)c3c(N)nccn23)C1.Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)[nH]c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(OC(F)(F)F)c4[nH]3)c12
• InChI: InChI=1S/C29H30N6O2.C24H23N5OS.C22H20F3N5O3.C22H23N5O2/c1-16(2)19-5-3-6-20(13-19)22-8-4-7-21-14-23(33-24(21)22)25-26-27(30)31-15-32-35(26)28(34-25)17-9-11-18(12-10-17)29(36)37;1-24(30)12-16(13-24)22-28-19(20-21(25)26-9-10-29(20)22)15-7-8-18-17(11-15)27-23(31-18)14-5-3-2-4-6-14;23-22(24,25)33-15-3-1-2-13-10-14(28-16(13)15)17-18-19(26)27-8-9-30(18)20(29-17)11-4-6-12(7-5-11)21(31)32;1-12-3-2-4-15-11-16(25-17(12)15)18-19-20(23)24-9-10-27(19)21(26-18)13-5-7-14(8-6-13)22(28)29/h3-8,13-18,33H,9-12H2,1-2H3,(H,36,37)(H2,30,31,32);2-11,16-18,30H,12-13H2,1H3,(H2,25,26);1-3,8-12,28H,4-7H2,(H2,26,27)(H,31,32);2-4,9-11,13-14,25H,5-8H2,1H3,(H2,23,24)(H,28,29)
• InChIKey: FLDMMZQHBMYSTB-UHFFFAOYSA-N
• XLogP: 18.67
• TPSA: 438.82 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 24
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1773.03
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(7-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?

The IUPAC name of 4-[8-amino-1-(7-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid (CID 158065296) is 4-[8-amino-1-(7-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-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-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?

The canonical SMILES for 4-[8-amino-1-(7-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid is CC(C)c1cccc(-c2cccc3cc(-c4nc(C5CCC(C(=O)O)CC5)n5ncnc(N)c45)[nH]c23)c1.CC1(O)CC(c2nc(C3=CC4N=C(c5ccccc5)SC4C=C3)c3c(N)nccn23)C1.Cc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)[nH]c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(OC(F)(F)F)c4[nH]3)c12.

What is the InChIKey of 4-[8-amino-1-(7-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?

The InChIKey is FLDMMZQHBMYSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N6O2.C24H23N5OS.C22H20F3N5O3.C22H23N5O2/c1-16(2)19-5-3-6-20(13-19)22-8-4-7-21-14-23(33-24(21)22)25-26-27(30)31-15-32-35(26)28(34-25)17-9-11-18(12-10-17)29(36)37;1-24(30)12-16(13-24)22-28-19(20-21(25)26-9-10-29(20)22)15-7-8-18-17(11-15)27-23(31-18)14-5-3-2-4-6-14;23-22(24,25)33-15-3-1-2-13-10-14(28-16(13)15)17-18-19(26)27-8-9-30(18)20(29-17)11-4-6-12(7-5-11)21(31)32;1-12-3-2-4-15-11-16(25-17(12)15)18-19-20(23)24-9-10-27(19)21(26-18)13-5-7-14(8-6-13)22(28)29/h3-8,13-18,33H,9-12H2,1-2H3,(H,36,37)(H2,30,31,32);2-11,16-18,30H,12-13H2,1H3,(H2,25,26);1-3,8-12,28H,4-7H2,(H2,26,27)(H,31,32);2-4,9-11,13-14,25H,5-8H2,1H3,(H2,23,24)(H,28,29).

What are the key properties of 4-[8-amino-1-(7-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid?

4-[8-amino-1-(7-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid has a molecular weight of 1773.03 g/mol, XLogP of 18.67, 15 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-methyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;3-[8-amino-1-(2-phenyl-3a,7a-dihydro-1,3-benzothiazol-5-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol;4-[4-amino-5-[7-(3-propan-2-ylphenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 158065296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).