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

C23H29F3N6O2 — CID 143820600

IUPAC2-[4-[[5-amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
SMILESNc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F
InChIInChI=1S/C23H29F3N6O2/c24-23(25,26)21-22(27)28-14-19(30-21)29-16-6-8-18(9-7-16)34-15-20(33)32-12-10-31(11-13-32)17-4-2-1-3-5-17/h1-5,14,16,18H,6-13,15H2,(H2,27,28)(H,29,30)
InChIKeyCBANPYAKCLMZEL-UHFFFAOYSA-N
MW478.52 g/mol
LogP3.17
Rot. Bonds6

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

2-[4-[[5-amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 143820600) has the molecular formula C23H29F3N6O2 and a molecular weight of 478.52 g/mol. Its IUPAC name is 2-[4-[[5-amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[[5-amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID143820600
Molecular FormulaC23H29F3N6O2
Molecular Weight478.52 g/mol
Exact Mass478.23
IUPAC Name2-[4-[[5-amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
SMILESNc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F
InChIInChI=1S/C23H29F3N6O2/c24-23(25,26)21-22(27)28-14-19(30-21)29-16-6-8-18(9-7-16)34-15-20(33)32-12-10-31(11-13-32)17-4-2-1-3-5-17/h1-5,14,16,18H,6-13,15H2,(H2,27,28)(H,29,30)
InChIKeyCBANPYAKCLMZEL-UHFFFAOYSA-N
XLogP3.17
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

(2S)-N-[6-(4-phenylpiperazin-1-yl)-3-pyridinyl]oxolane-2-carboxamide
CID 28891534
2-[4-[[5-Nitro-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 44194790
2-[4-[[5-Nitro-4-(trifluoromethyl)pyridin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 44194880
2-[4-[[5-Nitro-6-(trifluoromethyl)pyridin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 44194977
2-[4-[[5-Nitro-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 44194978
2-[4-[[6-Nitro-5-(trifluoromethyl)pyridin-3-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 44194979
6-[4-[2-[4-[4-Cyano-3-(trifluoromethyl)anilino]cyclohexyl]oxyacetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 49842433
N-[[(5S)-3-[3-fluoro-4-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57063301
N-[[3-[3-fluoro-4-[4-(5-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 57119406
N-[[3-[3-fluoro-4-[4-(3-methylpyrazin-2-yl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 57309909
2-[4-[[6-Methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 58117995
2-[4-[[5-Methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 58118030

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[4-[[5-amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (CID 143820600) is 2-[4-[[5-amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[[5-amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[4-[[5-amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is Nc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F.
What is the InChIKey of 2-[4-[[5-amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is CBANPYAKCLMZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29F3N6O2/c24-23(25,26)21-22(27)28-14-19(30-21)29-16-6-8-18(9-7-16)34-15-20(33)32-12-10-31(11-13-32)17-4-2-1-3-5-17/h1-5,14,16,18H,6-13,15H2,(H2,27,28)(H,29,30).
What are the key properties of 2-[4-[[5-amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?
2-[4-[[5-amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 478.52 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-amino-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 143820600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).