4-[8-amino-1-(7-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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

C95H87BrF4N20O9S — CID 158416813

About 4-[8-amino-1-(7-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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 158416813) has the molecular formula C95H87BrF4N20O9S and a molecular weight of 1840.83 g/mol. Its IUPAC name is 4-[8-amino-1-(7-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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: 158416813
• Molecular Formula: C95H87BrF4N20O9S
• Molecular Weight: 1840.83 g/mol
• Exact Mass: 1838.58
• IUPAC Name: 4-[8-amino-1-(7-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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: Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccccc5F)c4[nH]3)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccsc5)c4[nH]3)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(Br)c4[nH]3)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(OC(F)(F)F)c4[nH]3)c12
• InChI: InChI=1S/C27H24FN5O2.C25H23N5O2S.C22H20F3N5O3.C21H20BrN5O2/c28-20-7-2-1-5-18(20)19-6-3-4-17-14-21(31-22(17)19)23-24-25(29)30-12-13-33(24)26(32-23)15-8-10-16(11-9-15)27(34)35;26-23-22-21(19-12-16-2-1-3-18(20(16)28-19)17-8-11-33-13-17)29-24(30(22)10-9-27-23)14-4-6-15(7-5-14)25(31)32;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;22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-27(18)20(26-17)11-4-6-12(7-5-11)21(28)29/h1-7,12-16,31H,8-11H2,(H2,29,30)(H,34,35);1-3,8-15,28H,4-7H2,(H2,26,27)(H,31,32);1-3,8-12,28H,4-7H2,(H2,26,27)(H,31,32);1-3,8-12,25H,4-7H2,(H2,23,24)(H,28,29)
• InChIKey: GZZPSOYTVUUQMQ-UHFFFAOYSA-N
• XLogP: 20.47
• TPSA: 446.43 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 22
• Rotatable Bonds: 15
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1840.83
LogP ≤ 5	20.47
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(7-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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 158416813) is 4-[8-amino-1-(7-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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 Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccccc5F)c4[nH]3)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccsc5)c4[nH]3)c12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(Br)c4[nH]3)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-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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 GZZPSOYTVUUQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O2.C25H23N5O2S.C22H20F3N5O3.C21H20BrN5O2/c28-20-7-2-1-5-18(20)19-6-3-4-17-14-21(31-22(17)19)23-24-25(29)30-12-13-33(24)26(32-23)15-8-10-16(11-9-15)27(34)35;26-23-22-21(19-12-16-2-1-3-18(20(16)28-19)17-8-11-33-13-17)29-24(30(22)10-9-27-23)14-4-6-15(7-5-14)25(31)32;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;22-14-3-1-2-13-10-15(25-16(13)14)17-18-19(23)24-8-9-27(18)20(26-17)11-4-6-12(7-5-11)21(28)29/h1-7,12-16,31H,8-11H2,(H2,29,30)(H,34,35);1-3,8-15,28H,4-7H2,(H2,26,27)(H,31,32);1-3,8-12,28H,4-7H2,(H2,26,27)(H,31,32);1-3,8-12,25H,4-7H2,(H2,23,24)(H,28,29).

What are the key properties of 4-[8-amino-1-(7-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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 1840.83 g/mol, XLogP of 20.47, 15 rotatable bonds, 12 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-1-(7-bromo-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-[7-(2-fluorophenyl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[8-amino-1-(7-thiophen-3-yl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-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 158416813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).