4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide

C72H77Cl2F3N16O3S — CID 162213268

About 4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide

4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide (PubChem CID 162213268) has the molecular formula C72H77Cl2F3N16O3S and a molecular weight of 1374.48 g/mol. Its IUPAC name is 4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

• Compound Name: 4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
• PubChem CID: 162213268
• Molecular Formula: C72H77Cl2F3N16O3S
• Molecular Weight: 1374.48 g/mol
• Exact Mass: 1372.54
• IUPAC Name: 4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide
• SMILES: CC(=O)CCC1CCC(c2nc(-c3cc4cccc(Cl)c4s3)c3c(N)nccn23)CC1.CC(=O)NCC1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1.CCc1cccc2cc(-c3nc(C4CCC(CNC(=O)C(F)(F)F)CC4)n4ccnc(N)c34)[nH]c12
• InChI: InChI=1S/C25H27F3N6O.C24H25ClN4OS.C23H25ClN6O/c1-2-15-4-3-5-17-12-18(32-19(15)17)20-21-22(29)30-10-11-34(21)23(33-20)16-8-6-14(7-9-16)13-31-24(35)25(26,27)28;1-14(30)5-6-15-7-9-16(10-8-15)24-28-20(21-23(26)27-11-12-29(21)24)19-13-17-3-2-4-18(25)22(17)31-19;1-13(31)27-12-14-5-7-15(8-6-14)23-29-20(21-22(25)26-9-10-30(21)23)18-11-16-3-2-4-17(24)19(16)28-18/h3-5,10-12,14,16,32H,2,6-9,13H2,1H3,(H2,29,30)(H,31,35);2-4,11-13,15-16H,5-10H2,1H3,(H2,26,27);2-4,9-11,14-15,28H,5-8,12H2,1H3,(H2,25,26)(H,27,31)
• InChIKey: ZTDGKJHRMRQWLC-UHFFFAOYSA-N
• XLogP: 15.99
• TPSA: 275.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1374.48
LogP ≤ 5	15.99
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?

The IUPAC name of 4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide (CID 162213268) is 4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide.

What is the SMILES notation for 4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?

The canonical SMILES for 4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide is CC(=O)CCC1CCC(c2nc(-c3cc4cccc(Cl)c4s3)c3c(N)nccn23)CC1.CC(=O)NCC1CCC(c2nc(-c3cc4cccc(Cl)c4[nH]3)c3c(N)nccn23)CC1.CCc1cccc2cc(-c3nc(C4CCC(CNC(=O)C(F)(F)F)CC4)n4ccnc(N)c34)[nH]c12.

What is the InChIKey of 4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?

The InChIKey is ZTDGKJHRMRQWLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O.C24H25ClN4OS.C23H25ClN6O/c1-2-15-4-3-5-17-12-18(32-19(15)17)20-21-22(29)30-10-11-34(21)23(33-20)16-8-6-14(7-9-16)13-31-24(35)25(26,27)28;1-14(30)5-6-15-7-9-16(10-8-15)24-28-20(21-23(26)27-11-12-29(21)24)19-13-17-3-2-4-18(25)22(17)31-19;1-13(31)27-12-14-5-7-15(8-6-14)23-29-20(21-22(25)26-9-10-30(21)23)18-11-16-3-2-4-17(24)19(16)28-18/h3-5,10-12,14,16,32H,2,6-9,13H2,1H3,(H2,29,30)(H,31,35);2-4,11-13,15-16H,5-10H2,1H3,(H2,26,27);2-4,9-11,14-15,28H,5-8,12H2,1H3,(H2,25,26)(H,27,31).

What are the key properties of 4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide?

4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide has a molecular weight of 1374.48 g/mol, XLogP of 15.99, 14 rotatable bonds, 7 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[8-amino-1-(7-chloro-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]butan-2-one;N-[[4-[8-amino-1-(7-chloro-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]acetamide;N-[[4-[8-amino-1-(7-ethyl-1H-indol-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 162213268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).