4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol

C93H95N23O6S3 — CID 91229474

About 4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol

4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol (PubChem CID 91229474) has the molecular formula C93H95N23O6S3 and a molecular weight of 1727.14 g/mol. Its IUPAC name is 4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol.

Molecular Properties

• Compound Name: 4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
• PubChem CID: 91229474
• Molecular Formula: C93H95N23O6S3
• Molecular Weight: 1727.14 g/mol
• Exact Mass: 1725.70
• IUPAC Name: 4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol
• SMILES: Cc1cccc2cc(-c3nc(C4CCC(C(N)=O)CC4)n4ccnc(N)c34)sc12.Cc1cccc2oc(-c3nc(C4CCN(C(=O)N(C)C)CC4)n4ccnc(N)c34)cc12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c12.Nc1nccn2c(C3CCC(CO)CC3)nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c12
• InChI: InChI=1S/C24H22N6O2S.C24H24N6OS.C23H26N6O2.C22H23N5OS/c25-21-20-19(17-12-15-2-1-3-16(18(15)28-17)23-27-9-11-33-23)29-22(30(20)10-8-26-21)13-4-6-14(7-5-13)24(31)32;25-22-21-20(18-12-16-2-1-3-17(19(16)28-18)24-27-9-11-32-24)29-23(30(21)10-8-26-22)15-6-4-14(13-31)5-7-15;1-14-5-4-6-17-16(14)13-18(31-17)19-20-21(24)25-9-12-29(20)22(26-19)15-7-10-28(11-8-15)23(30)27(2)3;1-12-3-2-4-15-11-16(29-19(12)15)17-18-20(23)25-9-10-27(18)22(26-17)14-7-5-13(6-8-14)21(24)28/h1-3,8-14,28H,4-7H2,(H2,25,26)(H,31,32);1-3,8-12,14-15,28,31H,4-7,13H2,(H2,25,26);4-6,9,12-13,15H,7-8,10-11H2,1-3H3,(H2,24,25);2-4,9-11,13-14H,5-8H2,1H3,(H2,23,25)(H2,24,28)
• InChIKey: BMQIHPZARSERGA-UHFFFAOYSA-N
• XLogP: 17.95
• TPSA: 419.51 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 13
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1727.14
LogP ≤ 5	17.95
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol?

The IUPAC name of 4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol (CID 91229474) is 4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol.

What is the SMILES notation for 4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol?

The canonical SMILES for 4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol is Cc1cccc2cc(-c3nc(C4CCC(C(N)=O)CC4)n4ccnc(N)c34)sc12.Cc1cccc2oc(-c3nc(C4CCN(C(=O)N(C)C)CC4)n4ccnc(N)c34)cc12.Nc1nccn2c(C3CCC(C(=O)O)CC3)nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c12.Nc1nccn2c(C3CCC(CO)CC3)nc(-c3cc4cccc(-c5nccs5)c4[nH]3)c12.

What is the InChIKey of 4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol?

The InChIKey is BMQIHPZARSERGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2S.C24H24N6OS.C23H26N6O2.C22H23N5OS/c25-21-20-19(17-12-15-2-1-3-16(18(15)28-17)23-27-9-11-33-23)29-22(30(20)10-8-26-21)13-4-6-14(7-5-13)24(31)32;25-22-21-20(18-12-16-2-1-3-17(19(16)28-18)24-27-9-11-32-24)29-23(30(21)10-8-26-22)15-6-4-14(13-31)5-7-15;1-14-5-4-6-17-16(14)13-18(31-17)19-20-21(24)25-9-12-29(20)22(26-19)15-7-10-28(11-8-15)23(30)27(2)3;1-12-3-2-4-15-11-16(29-19(12)15)17-18-20(23)25-9-10-27(18)22(26-17)14-7-5-13(6-8-14)21(24)28/h1-3,8-14,28H,4-7H2,(H2,25,26)(H,31,32);1-3,8-12,14-15,28,31H,4-7,13H2,(H2,25,26);4-6,9,12-13,15H,7-8,10-11H2,1-3H3,(H2,24,25);2-4,9-11,13-14H,5-8H2,1H3,(H2,23,25)(H2,24,28).

What are the key properties of 4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol?

4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol has a molecular weight of 1727.14 g/mol, XLogP of 17.95, 13 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-amino-1-(4-methyl-1-benzofuran-2-yl)imidazo[1,5-a]pyrazin-3-yl]-N,N-dimethylpiperidine-1-carboxamide;4-[8-amino-1-(7-methyl-1-benzothiophen-2-yl)imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxamide;4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexane-1-carboxylic acid;[4-[8-amino-1-[7-(1,3-thiazol-2-yl)-1H-indol-2-yl]imidazo[1,5-a]pyrazin-3-yl]cyclohexyl]methanol is sourced from PubChem (CID 91229474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).