2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone

C24H30F3N5O2 — CID 58118030

About 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone

2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 58118030) has the molecular formula C24H30F3N5O2 and a molecular weight of 477.53 g/mol. Its IUPAC name is 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
• PubChem CID: 58118030
• Molecular Formula: C24H30F3N5O2
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.24
• IUPAC Name: 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
• SMILES: Cc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F
• InChI: InChI=1S/C24H30F3N5O2/c1-17-23(24(25,26)27)30-21(15-28-17)29-18-7-9-20(10-8-18)34-16-22(33)32-13-11-31(12-14-32)19-5-3-2-4-6-19/h2-6,15,18,20H,7-14,16H2,1H3,(H,29,30)
• InChIKey: LGRYWWHCSDFZTB-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 70.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.53
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?

The IUPAC name of 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (CID 58118030) is 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.

What is the SMILES notation for 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?

The canonical SMILES for 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is Cc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F.

What is the InChIKey of 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?

The InChIKey is LGRYWWHCSDFZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N5O2/c1-17-23(24(25,26)27)30-21(15-28-17)29-18-7-9-20(10-8-18)34-16-22(33)32-13-11-31(12-14-32)19-5-3-2-4-6-19/h2-6,15,18,20H,7-14,16H2,1H3,(H,29,30).

What are the key properties of 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?

2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 477.53 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 58118030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).