N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid

C92H89Cl2F4N23O8 — CID 162158567

About N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid

N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid (PubChem CID 162158567) has the molecular formula C92H89Cl2F4N23O8 and a molecular weight of 1791.77 g/mol. Its IUPAC name is N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

• Compound Name: N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
• PubChem CID: 162158567
• Molecular Formula: C92H89Cl2F4N23O8
• Molecular Weight: 1791.77 g/mol
• Exact Mass: 1789.66
• IUPAC Name: N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid
• SMILES: CCOc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)[nH]c12.Nc1nccn2c(C3CCC(CNC(=O)C(F)(F)F)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1nccn2c(N3CCC(C(=O)O)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccc(F)cc5)c4[nH]3)c12
• InChI: InChI=1S/C26H23FN6O2.C23H22ClF3N6O.C23H25N5O3.C20H19ClN6O2/c27-18-10-8-14(9-11-18)19-3-1-2-17-12-20(31-21(17)19)22-23-24(28)29-13-30-33(23)25(32-22)15-4-6-16(7-5-15)26(34)35;24-15-3-1-2-14-10-16(31-17(14)15)18-19-20(28)29-8-9-33(19)21(32-18)13-6-4-12(5-7-13)11-30-22(34)23(25,26)27;1-2-31-17-5-3-4-15-12-16(26-18(15)17)19-20-21(24)25-10-11-28(20)22(27-19)13-6-8-14(9-7-13)23(29)30;21-13-3-1-2-12-10-14(24-15(12)13)16-17-18(22)23-6-9-27(17)20(25-16)26-7-4-11(5-8-26)19(28)29/h1-3,8-13,15-16,31H,4-7H2,(H,34,35)(H2,28,29,30);1-3,8-10,12-13,31H,4-7,11H2,(H2,28,29)(H,30,34);3-5,10-14,26H,2,6-9H2,1H3,(H2,24,25)(H,29,30);1-3,6,9-11,24H,4-5,7-8H2,(H2,22,23)(H,28,29)
• InChIKey: ZMDSQPMOBAXOPN-UHFFFAOYSA-N
• XLogP: 17.72
• TPSA: 454.36 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 23
• Rotatable Bonds: 16
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1791.77
LogP ≤ 5	17.72
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid?

The IUPAC name of N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid (CID 162158567) is N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid.

What is the SMILES notation for N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid?

The canonical SMILES for N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid is CCOc1cccc2cc(-c3nc(C4CCC(C(=O)O)CC4)n4ccnc(N)c34)[nH]c12.Nc1nccn2c(C3CCC(CNC(=O)C(F)(F)F)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1nccn2c(N3CCC(C(=O)O)CC3)nc(-c3cc4cccc(Cl)c4[nH]3)c12.Nc1ncnn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5ccc(F)cc5)c4[nH]3)c12.

What is the InChIKey of N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid?

The InChIKey is ZMDSQPMOBAXOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O2.C23H22ClF3N6O.C23H25N5O3.C20H19ClN6O2/c27-18-10-8-14(9-11-18)19-3-1-2-17-12-20(31-21(17)19)22-23-24(28)29-13-30-33(23)25(32-22)15-4-6-16(7-5-15)26(34)35;24-15-3-1-2-14-10-16(31-17(14)15)18-19-20(28)29-8-9-33(19)21(32-18)13-6-4-12(5-7-13)11-30-22(34)23(25,26)27;1-2-31-17-5-3-4-15-12-16(26-18(15)17)19-20-21(24)25-10-11-28(20)22(27-19)13-6-8-14(9-7-13)23(29)30;21-13-3-1-2-12-10-14(24-15(12)13)16-17-18(22)23-6-9-27(17)20(25-16)26-7-4-11(5-8-26)19(28)29/h1-3,8-13,15-16,31H,4-7H2,(H,34,35)(H2,28,29,30);1-3,8-10,12-13,31H,4-7,11H2,(H2,28,29)(H,30,34);3-5,10-14,26H,2,6-9H2,1H3,(H2,24,25)(H,29,30);1-3,6,9-11,24H,4-5,7-8H2,(H2,22,23)(H,28,29).

What are the key properties of N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid?

N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid has a molecular weight of 1791.77 g/mol, XLogP of 17.72, 16 rotatable bonds, 12 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide;1-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]piperidine-4-carboxylic acid;4-[8-amino-1-(7-ethoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;4-[4-amino-5-[7-(4-fluorophenyl)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 162158567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).