2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone

C74H92F9N13O6 — CID 160842606

IUPAC2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1cnc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F
InChIInChI=1S/2C25H31F3N4O2.C24H30F3N5O2/c1-18-23(25(26,27)28)15-20(16-29-18)30-19-7-9-22(10-8-19)34-17-24(33)32-13-11-31(12-14-32)21-5-3-2-4-6-21;1-18-16-29-23(15-22(18)25(26,27)28)30-19-7-9-21(10-8-19)34-17-24(33)32-13-11-31(12-14-32)20-5-3-2-4-6-20;1-17-23(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/h2-6,15-16,19,22,30H,7-14,17H2,1H3;2-6,15-16,19,21H,7-14,17H2,1H3,(H,29,30);2-6,15,18,20H,7-14,16H2,1H3,(H,29,30)
InChIKeySIFNEZHJAWZYPR-UHFFFAOYSA-N
MW1430.62 g/mol
LogP12.89
Rot. Bonds18

About 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]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;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (PubChem CID 160842606) has the molecular formula C74H92F9N13O6 and a molecular weight of 1430.62 g/mol. Its IUPAC name is 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
PubChem CID160842606
Molecular FormulaC74H92F9N13O6
Molecular Weight1430.62 g/mol
Exact Mass1429.71
IUPAC Name2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
SMILESCc1cnc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)nc1C(F)(F)F
InChIInChI=1S/2C25H31F3N4O2.C24H30F3N5O2/c1-18-23(25(26,27)28)15-20(16-29-18)30-19-7-9-22(10-8-19)34-17-24(33)32-13-11-31(12-14-32)21-5-3-2-4-6-21;1-18-16-29-23(15-22(18)25(26,27)28)30-19-7-9-21(10-8-19)34-17-24(33)32-13-11-31(12-14-32)20-5-3-2-4-6-20;1-17-23(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/h2-6,15-16,19,22,30H,7-14,17H2,1H3;2-6,15-16,19,21H,7-14,17H2,1H3,(H,29,30);2-6,15,18,20H,7-14,16H2,1H3,(H,29,30)
InChIKeySIFNEZHJAWZYPR-UHFFFAOYSA-N
XLogP12.89
TPSA185.99 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds18
Heavy Atoms102
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001430.62
LogP ≤ 512.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Analyze 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone with MolForge

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Related Compounds

2-[4-[[5-Methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 58118030
2-[4-[[5-Methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 58118079
2-[4-[[5-Amino-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 143820508
2-[4-[[6-Amino-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 143820529
3-ethyl-5-(2-methylphenyl)pyrazin-2-amine;bis(5-(5-fluoro-2-methylphenyl)-3-methoxy-N-methylpyrazin-2-amine);5-(5-fluoro-2-methylphenyl)-3-methoxypyrazin-2-amine;2-(5-fluoro-2-methylphenyl)-6-methoxypyrazine;6-(5-fluoro-2-methylphenyl)-1H-pyrazin-2-one;5-(2-methylphenyl)-3-(3,3,3-trifluoropropyl)pyrazin-2-amine
CID 157668641
4-benzyl-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;cyclohexyl N-(5-methyl-2-pyridinyl)carbamate;4-[(4-fluorophenyl)methyl]-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide;hexyl N-(5-methyl-2-pyridinyl)carbamate;1-hexyl-3-(5-methyl-2-pyridinyl)urea;N-(5-methyl-2-pyridinyl)-4-pyridin-3-ylpiperazine-1-carboxamide;N-(5-methyl-2-pyridinyl)-4-[6-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 158285969
aniline;N-cyclopropylpyridin-2-amine;N,5-dimethylpyridin-2-amine;4-ethylaniline;N-ethylpyridin-2-amine;bis(2-fluoropyridine);N-(2-methoxyethyl)-2,2-dimethyl-N-phenylpropanamide;2-(3-methoxypropyl)pyridine;4-methylaniline;bis(N-methylpyridin-2-amine);tris(pyridine);pyridin-2-ylmethanamine;1-pyridin-2-ylpiperazine;2-(trifluoromethyl)pyridine
CID 158574458
4-methyl-N-[4-[(4-phenylpiperazin-1-yl)sulfonylmethoxy]cyclohexyl]-3-(trifluoromethyl)aniline;2-[4-[4-methyl-3-(trifluoromethyl)anilino]cyclohexyl]oxy-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-6-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)pyrimidin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone
CID 158903026
N-(6-morpholin-4-yl-3-pyridinyl)-2-(oxan-4-yl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]acetamide;6-morpholin-4-yl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methyl]pyridin-3-amine
CID 160092715
N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetamide;tert-butyl N-[5-[[2-[(2R,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;bis(tert-butyl N-[5-[[2-[(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate);tert-butyl N-[5-[[2-[(2R,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;tert-butyl N-[5-[[2-[(2S,5S)-2-(4-fluorophenyl)-5-methylpiperidin-1-yl]-2-oxoacetyl]amino]-3-methyl-2-pyridinyl]carbamate;(2S,5R)-2-(4-fluorophenyl)-5-methylpiperidine;methane;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate
CID 164947018
lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5R)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-[(2S,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetamide;butane;tert-butyl N-[3-methyl-5-[[2-(5-methyl-2-phenylpiperidin-1-yl)-2-oxoacetyl]amino]-2-pyridinyl]carbamate;methane;5-methyl-2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate
CID 164955446
lithium;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-(2-phenylpiperidin-1-yl)acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2R)-2-phenylpiperidin-1-yl]acetamide;N-(6-amino-5-methyl-3-pyridinyl)-2-oxo-2-[(2S)-2-phenylpiperidin-1-yl]acetamide;butane;tert-butyl N-[3-methyl-5-[[2-oxo-2-(2-phenylpiperidin-1-yl)acetyl]amino]-2-pyridinyl]carbamate;methane;2-phenylpiperidine;2,2,2-trifluoroethyl 2-[[5-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]amino]-2-oxoacetate
CID 164987844

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;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]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;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone (CID 160842606) is 2-[4-[[5-methyl-6-(trifluoromethyl)pyrazin-2-yl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]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;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]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;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is Cc1cnc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.Cc1ncc(NC2CCC(OCC(=O)N3CCN(c4ccccc4)CC3)CC2)cc1C(F)(F)F.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;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone?
The InChIKey is SIFNEZHJAWZYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H31F3N4O2.C24H30F3N5O2/c1-18-23(25(26,27)28)15-20(16-29-18)30-19-7-9-22(10-8-19)34-17-24(33)32-13-11-31(12-14-32)21-5-3-2-4-6-21;1-18-16-29-23(15-22(18)25(26,27)28)30-19-7-9-21(10-8-19)34-17-24(33)32-13-11-31(12-14-32)20-5-3-2-4-6-20;1-17-23(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/h2-6,15-16,19,22,30H,7-14,17H2,1H3;2-6,15-16,19,21H,7-14,17H2,1H3,(H,29,30);2-6,15,18,20H,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-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]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;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone has a molecular weight of 1430.62 g/mol, XLogP of 12.89, 18 rotatable bonds, 3 hydrogen bond donors, and 16 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;2-[4-[[5-methyl-4-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone;2-[4-[[6-methyl-5-(trifluoromethyl)-3-pyridinyl]amino]cyclohexyl]oxy-1-(4-phenylpiperazin-1-yl)ethanone is sourced from PubChem (CID 160842606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).