1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone

C58H66F7N13O5S — CID 160850891

About 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone

1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone (PubChem CID 160850891) has the molecular formula C58H66F7N13O5S and a molecular weight of 1190.30 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
• PubChem CID: 160850891
• Molecular Formula: C58H66F7N13O5S
• Molecular Weight: 1190.30 g/mol
• Exact Mass: 1189.49
• IUPAC Name: 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1.CC(=O)N1CCN(c2cc(F)cc3[nH]ccc23)CC1.CN1CC2CN(c3cccc4[nH]ccc34)CCN2C1=O.CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1
• InChI: InChI=1S/C15H16F3N3O.C15H18N4O.C14H16F3N3O2S.C14H16FN3O/c1-10(22)20-4-6-21(7-5-20)14-9-11(15(16,17)18)8-13-12(14)2-3-19-13;1-17-9-11-10-18(7-8-19(11)15(17)20)14-4-2-3-13-12(14)5-6-16-13;1-23(21,22)20-6-4-19(5-7-20)13-9-10(14(15,16)17)8-12-11(13)2-3-18-12;1-10(19)17-4-6-18(7-5-17)14-9-11(15)8-13-12(14)2-3-16-13/h2-3,8-9,19H,4-7H2,1H3;2-6,11,16H,7-10H2,1H3;2-3,8-9,18H,4-7H2,1H3;2-3,8-9,16H,4-7H2,1H3
• InChIKey: SJGAQWZTEVXJLA-UHFFFAOYSA-N
• XLogP: 8.82
• TPSA: 177.67 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1190.30
LogP ≤ 5	8.82
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone (CID 160850891) is 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1.CC(=O)N1CCN(c2cc(F)cc3[nH]ccc23)CC1.CN1CC2CN(c3cccc4[nH]ccc34)CCN2C1=O.CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ccc23)CC1.

What is the InChIKey of 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone?

The InChIKey is SJGAQWZTEVXJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O.C15H18N4O.C14H16F3N3O2S.C14H16FN3O/c1-10(22)20-4-6-21(7-5-20)14-9-11(15(16,17)18)8-13-12(14)2-3-19-13;1-17-9-11-10-18(7-8-19(11)15(17)20)14-4-2-3-13-12(14)5-6-16-13;1-23(21,22)20-6-4-19(5-7-20)13-9-10(14(15,16)17)8-12-11(13)2-3-18-12;1-10(19)17-4-6-18(7-5-17)14-9-11(15)8-13-12(14)2-3-16-13/h2-3,8-9,19H,4-7H2,1H3;2-6,11,16H,7-10H2,1H3;2-3,8-9,18H,4-7H2,1H3;2-3,8-9,16H,4-7H2,1H3.

What are the key properties of 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone?

1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone has a molecular weight of 1190.30 g/mol, XLogP of 8.82, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-fluoro-1H-indol-4-yl)piperazin-1-yl]ethanone;7-(1H-indol-4-yl)-2-methyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one;4-(4-methylsulfonylpiperazin-1-yl)-6-(trifluoromethyl)-1H-indole;1-[4-[6-(trifluoromethyl)-1H-indol-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 160850891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).