3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine

C78H77FN18O8S3 — CID 161263370

About 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine

3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 161263370) has the molecular formula C78H77FN18O8S3 and a molecular weight of 1509.79 g/mol. Its IUPAC name is 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 161263370
• Molecular Formula: C78H77FN18O8S3
• Molecular Weight: 1509.79 g/mol
• Exact Mass: 1508.53
• IUPAC Name: 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine
• SMILES: COc1ccc(OC)c(S(=O)(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.Nc1nccn2c(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc(-c3cc4ccccc4[nH]3)c12
• InChI: InChI=1S/C27H28N6O4S.C26H26N6O2S.C25H23FN6O2S/c1-36-19-7-8-22(37-2)23(16-19)38(34,35)32-12-9-17(10-13-32)27-31-24(25-26(28)29-11-14-33(25)27)21-15-18-5-3-4-6-20(18)30-21;1-17-6-8-20(9-7-17)35(33,34)31-13-10-18(11-14-31)26-30-23(24-25(27)28-12-15-32(24)26)22-16-19-4-2-3-5-21(19)29-22;26-18-5-7-19(8-6-18)35(33,34)31-12-9-16(10-13-31)25-30-22(23-24(27)28-11-14-32(23)25)21-15-17-3-1-2-4-20(17)29-21/h3-8,11,14-17,30H,9-10,12-13H2,1-2H3,(H2,28,29);2-9,12,15-16,18,29H,10-11,13-14H2,1H3,(H2,27,28);1-8,11,14-16,29H,9-10,12-13H2,(H2,27,28)
• InChIKey: VCVXDQPUQZJHEU-UHFFFAOYSA-N
• XLogP: 12.55
• TPSA: 346.60 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 14
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1509.79
LogP ≤ 5	12.55
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine (CID 161263370) is 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine is COc1ccc(OC)c(S(=O)(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)c1.Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4cc5ccccc5[nH]4)c4c(N)nccn34)CC2)cc1.Nc1nccn2c(C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc(-c3cc4ccccc4[nH]3)c12.

What is the InChIKey of 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is VCVXDQPUQZJHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O4S.C26H26N6O2S.C25H23FN6O2S/c1-36-19-7-8-22(37-2)23(16-19)38(34,35)32-12-9-17(10-13-32)27-31-24(25-26(28)29-11-14-33(25)27)21-15-18-5-3-4-6-20(18)30-21;1-17-6-8-20(9-7-17)35(33,34)31-13-10-18(11-14-31)26-30-23(24-25(27)28-12-15-32(24)26)22-16-19-4-2-3-5-21(19)29-22;26-18-5-7-19(8-6-18)35(33,34)31-12-9-16(10-13-31)25-30-22(23-24(27)28-11-14-32(23)25)21-15-17-3-1-2-4-20(17)29-21/h3-8,11,14-17,30H,9-10,12-13H2,1-2H3,(H2,28,29);2-9,12,15-16,18,29H,10-11,13-14H2,1H3,(H2,27,28);1-8,11,14-16,29H,9-10,12-13H2,(H2,27,28).

What are the key properties of 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine?

3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1509.79 g/mol, XLogP of 12.55, 14 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;3-[1-(4-fluorophenyl)sulfonylpiperidin-4-yl]-1-(1H-indol-2-yl)imidazo[1,5-a]pyrazin-8-amine;1-(1H-indol-2-yl)-3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 161263370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).