4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate

C69H72ClF3N16O8 — CID 158657549

About 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate

4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (PubChem CID 158657549) has the molecular formula C69H72ClF3N16O8 and a molecular weight of 1345.89 g/mol. Its IUPAC name is 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate.

Molecular Properties

• Compound Name: 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
• PubChem CID: 158657549
• Molecular Formula: C69H72ClF3N16O8
• Molecular Weight: 1345.89 g/mol
• Exact Mass: 1344.54
• IUPAC Name: 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
• SMILES: CC1(C(=O)O)CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1.COC(=O)C1CCC(c2nc(-c3cc4cccc(OC(C)C)c4[nH]3)c3c(N)nccn23)CC1.COC(=O)C1CCC(c2nc(-c3cc4cccc(OC(F)(F)F)c4[nH]3)c3c(N)ncnn23)CC1
• InChI: InChI=1S/C25H29N5O3.C22H22ClN5O2.C22H21F3N6O3/c1-14(2)33-19-6-4-5-17-13-18(28-20(17)19)21-22-23(26)27-11-12-30(22)24(29-21)15-7-9-16(10-8-15)25(31)32-3;1-22(21(29)30)7-5-12(6-8-22)20-27-17(18-19(24)25-9-10-28(18)20)15-11-13-3-2-4-14(23)16(13)26-15;1-33-21(32)12-7-5-11(6-8-12)20-30-17(18-19(26)27-10-28-31(18)20)14-9-13-3-2-4-15(16(13)29-14)34-22(23,24)25/h4-6,11-16,28H,7-10H2,1-3H3,(H2,26,27);2-4,9-12,26H,5-8H2,1H3,(H2,24,25)(H,29,30);2-4,9-12,29H,5-8H2,1H3,(H2,26,27,28)
• InChIKey: ICIFZTBSWGLACG-UHFFFAOYSA-N
• XLogP: 13.76
• TPSA: 337.25 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1345.89
LogP ≤ 5	13.76
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

The IUPAC name of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate (CID 158657549) is 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate.

What is the SMILES notation for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

The canonical SMILES for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is CC1(C(=O)O)CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1.COC(=O)C1CCC(c2nc(-c3cc4cccc(OC(C)C)c4[nH]3)c3c(N)nccn23)CC1.COC(=O)C1CCC(c2nc(-c3cc4cccc(OC(F)(F)F)c4[nH]3)c3c(N)ncnn23)CC1.

What is the InChIKey of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

The InChIKey is ICIFZTBSWGLACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3.C22H22ClN5O2.C22H21F3N6O3/c1-14(2)33-19-6-4-5-17-13-18(28-20(17)19)21-22-23(26)27-11-12-30(22)24(29-21)15-7-9-16(10-8-15)25(31)32-3;1-22(21(29)30)7-5-12(6-8-22)20-27-17(18-19(24)25-9-10-28(18)20)15-11-13-3-2-4-14(23)16(13)26-15;1-33-21(32)12-7-5-11(6-8-12)20-30-17(18-19(26)27-10-28-31(18)20)14-9-13-3-2-4-15(16(13)29-14)34-22(23,24)25/h4-6,11-16,28H,7-10H2,1-3H3,(H2,26,27);2-4,9-12,26H,5-8H2,1H3,(H2,24,25)(H,29,30);2-4,9-12,29H,5-8H2,1H3,(H2,26,27,28).

What are the key properties of 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate?

4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate has a molecular weight of 1345.89 g/mol, XLogP of 13.76, 12 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclohexane-1-carboxylic acid;methyl 4-[8-amino-1-(7-propan-2-yloxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 158657549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).