[3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one

C84H85F3N16O6S — CID 158669593

About [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one

[3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one (PubChem CID 158669593) has the molecular formula C84H85F3N16O6S and a molecular weight of 1503.77 g/mol. Its IUPAC name is [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one.

Molecular Properties

• Compound Name: [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one
• PubChem CID: 158669593
• Molecular Formula: C84H85F3N16O6S
• Molecular Weight: 1503.77 g/mol
• Exact Mass: 1502.65
• IUPAC Name: [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one
• SMILES: CC(=O)CCC1CCC(c2nc(-c3cc4cccc(C(F)(F)F)c4s3)c3c(N)nccn23)CC1.CC(=O)Oc1cccc(C(=O)NCC2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.COc1cccc(C(=O)NCC2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1
• InChI: InChI=1S/C30H30N6O3.C29H30N6O2.C25H25F3N4OS/c1-18(37)39-23-7-4-6-22(15-23)30(38)33-17-19-9-11-20(12-10-19)29-35-26(27-28(31)32-13-14-36(27)29)25-16-21-5-2-3-8-24(21)34-25;1-37-22-7-4-6-21(15-22)29(36)32-17-18-9-11-19(12-10-18)28-34-25(26-27(30)31-13-14-35(26)28)24-16-20-5-2-3-8-23(20)33-24;1-14(33)5-6-15-7-9-16(10-8-15)24-31-20(21-23(29)30-11-12-32(21)24)19-13-17-3-2-4-18(22(17)34-19)25(26,27)28/h2-8,13-16,19-20,34H,9-12,17H2,1H3,(H2,31,32)(H,33,38);2-8,13-16,18-19,33H,9-12,17H2,1H3,(H2,30,31)(H,32,36);2-4,11-13,15-16H,5-10H2,1H3,(H2,29,30)
• InChIKey: IDUAIWRCLXGXNP-UHFFFAOYSA-N
• XLogP: 17.12
• TPSA: 311.01 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1503.77
LogP ≤ 5	17.12
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one?

The IUPAC name of [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one (CID 158669593) is [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one.

What is the SMILES notation for [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one?

The canonical SMILES for [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one is CC(=O)CCC1CCC(c2nc(-c3cc4cccc(C(F)(F)F)c4s3)c3c(N)nccn23)CC1.CC(=O)Oc1cccc(C(=O)NCC2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.COc1cccc(C(=O)NCC2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.

What is the InChIKey of [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one?

The InChIKey is IDUAIWRCLXGXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O3.C29H30N6O2.C25H25F3N4OS/c1-18(37)39-23-7-4-6-22(15-23)30(38)33-17-19-9-11-20(12-10-19)29-35-26(27-28(31)32-13-14-36(27)29)25-16-21-5-2-3-8-24(21)34-25;1-37-22-7-4-6-21(15-22)29(36)32-17-18-9-11-19(12-10-18)28-34-25(26-27(30)31-13-14-35(26)28)24-16-20-5-2-3-8-23(20)33-24;1-14(33)5-6-15-7-9-16(10-8-15)24-31-20(21-23(29)30-11-12-32(21)24)19-13-17-3-2-4-18(22(17)34-19)25(26,27)28/h2-8,13-16,19-20,34H,9-12,17H2,1H3,(H2,31,32)(H,33,38);2-8,13-16,18-19,33H,9-12,17H2,1H3,(H2,30,31)(H,32,36);2-4,11-13,15-16H,5-10H2,1H3,(H2,29,30).

What are the key properties of [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one?

[3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one has a molecular weight of 1503.77 g/mol, XLogP of 17.12, 17 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-3-methoxybenzamide;4-[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one is sourced from PubChem (CID 158669593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).