[3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate

C102H104F3N23O8S2 — CID 162223743

About [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate

[3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate (PubChem CID 162223743) has the molecular formula C102H104F3N23O8S2 and a molecular weight of 1901.23 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-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate.

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-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
• PubChem CID: 162223743
• Molecular Formula: C102H104F3N23O8S2
• Molecular Weight: 1901.23 g/mol
• Exact Mass: 1899.78
• IUPAC Name: [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate
• SMILES: CC(=O)NCC1CCC(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.COC(=O)C1CCC(c2nc(-c3cc4cccc(OC)c4[nH]3)c3c(N)nccn23)CC1.Nc1ncnn2c(C3CCC(CNC(=O)c4ccsc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
• InChI: InChI=1S/C30H30N6O3.C25H25N7OS.C24H24F3N5OS.C23H25N5O3/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;26-23-22-21(20-11-17-3-1-2-4-19(17)30-20)31-24(32(22)29-14-28-23)16-7-5-15(6-8-16)12-27-25(33)18-9-10-34-13-18;1-13(33)30-12-14-5-7-15(8-6-14)23-31-19(20-22(28)29-9-10-32(20)23)18-11-16-3-2-4-17(21(16)34-18)24(25,26)27;1-30-17-5-3-4-15-12-16(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)31-2/h2-8,13-16,19-20,34H,9-12,17H2,1H3,(H2,31,32)(H,33,38);1-4,9-11,13-16,30H,5-8,12H2,(H,27,33)(H2,26,28,29);2-4,9-11,14-15H,5-8,12H2,1H3,(H2,28,29)(H,30,33);3-5,10-14,26H,6-9H2,1-2H3,(H2,24,25)
• InChIKey: ZULZFDFYMGMVBO-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 434.23 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.23
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

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-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?

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-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate (CID 162223743) is [3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate.

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-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?

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-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate is CC(=O)NCC1CCC(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.COC(=O)C1CCC(c2nc(-c3cc4cccc(OC)c4[nH]3)c3c(N)nccn23)CC1.Nc1ncnn2c(C3CCC(CNC(=O)c4ccsc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.

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-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?

The InChIKey is ZULZFDFYMGMVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O3.C25H25N7OS.C24H24F3N5OS.C23H25N5O3/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;26-23-22-21(20-11-17-3-1-2-4-19(17)30-20)31-24(32(22)29-14-28-23)16-7-5-15(6-8-16)12-27-25(33)18-9-10-34-13-18;1-13(33)30-12-14-5-7-15(8-6-14)23-31-19(20-22(28)29-9-10-32(20)23)18-11-16-3-2-4-17(21(16)34-18)24(25,26)27;1-30-17-5-3-4-15-12-16(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)31-2/h2-8,13-16,19-20,34H,9-12,17H2,1H3,(H2,31,32)(H,33,38);1-4,9-11,13-16,30H,5-8,12H2,(H,27,33)(H2,26,28,29);2-4,9-11,14-15H,5-8,12H2,1H3,(H2,28,29)(H,30,33);3-5,10-14,26H,6-9H2,1-2H3,(H2,24,25).

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-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate?

[3-[[4-[8-amino-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methylcarbamoyl]phenyl] acetate;N-[[4-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate has a molecular weight of 1901.23 g/mol, XLogP of 19.25, 19 rotatable bonds, 10 hydrogen bond donors, and 27 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-[4-amino-5-(1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexyl]methyl]thiophene-3-carboxamide;N-[[4-[8-amino-1-[7-(trifluoromethyl)-1-benzothiophen-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;methyl 4-[8-amino-1-(7-methoxy-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 162223743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).