1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone

C54H62F7N17O5S — CID 160985795

About 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone

1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone (PubChem CID 160985795) has the molecular formula C54H62F7N17O5S and a molecular weight of 1194.26 g/mol. Its IUPAC name is 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
• PubChem CID: 160985795
• Molecular Formula: C54H62F7N17O5S
• Molecular Weight: 1194.26 g/mol
• Exact Mass: 1193.47
• IUPAC Name: 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone
• SMILES: CC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1.CN1CC2CN(c3cccc4[nH]ncc34)CCN2C1=O.CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1
• InChI: InChI=1S/C14H15F3N4O.C14H17N5O.C13H15F3N4O2S.C13H15FN4O/c1-9(22)20-2-4-21(5-3-20)13-7-10(14(15,16)17)6-12-11(13)8-18-19-12;1-17-8-10-9-18(5-6-19(10)14(17)20)13-4-2-3-12-11(13)7-15-16-12;1-23(21,22)20-4-2-19(3-5-20)12-7-9(13(14,15)16)6-11-10(12)8-17-18-11;1-9(19)17-2-4-18(5-3-17)13-7-10(14)6-12-11(13)8-15-16-12/h6-8H,2-5H2,1H3,(H,18,19);2-4,7,10H,5-6,8-9H2,1H3,(H,15,16);6-8H,2-5H2,1H3,(H,17,18);6-8H,2-5H2,1H3,(H,15,16)
• InChIKey: TTYNXRRMXWSEFA-UHFFFAOYSA-N
• XLogP: 6.40
• TPSA: 229.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 13
• Rotatable Bonds: 5
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1194.26
LogP ≤ 5	6.40
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone?

The IUPAC name of 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone (CID 160985795) is 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.CC(=O)N1CCN(c2cc(F)cc3[nH]ncc23)CC1.CN1CC2CN(c3cccc4[nH]ncc34)CCN2C1=O.CS(=O)(=O)N1CCN(c2cc(C(F)(F)F)cc3[nH]ncc23)CC1.

What is the InChIKey of 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone?

The InChIKey is TTYNXRRMXWSEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O.C14H17N5O.C13H15F3N4O2S.C13H15FN4O/c1-9(22)20-2-4-21(5-3-20)13-7-10(14(15,16)17)6-12-11(13)8-18-19-12;1-17-8-10-9-18(5-6-19(10)14(17)20)13-4-2-3-12-11(13)7-15-16-12;1-23(21,22)20-4-2-19(3-5-20)12-7-9(13(14,15)16)6-11-10(12)8-17-18-11;1-9(19)17-2-4-18(5-3-17)13-7-10(14)6-12-11(13)8-15-16-12/h6-8H,2-5H2,1H3,(H,18,19);2-4,7,10H,5-6,8-9H2,1H3,(H,15,16);6-8H,2-5H2,1H3,(H,17,18);6-8H,2-5H2,1H3,(H,15,16).

What are the key properties of 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone?

1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone has a molecular weight of 1194.26 g/mol, XLogP of 6.40, 5 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(6-fluoro-1H-indazol-4-yl)piperazin-1-yl]ethanone;7-(1H-indazol-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-indazole;1-[4-[6-(trifluoromethyl)-1H-indazol-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 160985795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).