5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

C24H26F3N5O2S — CID 118112700

IUPAC5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESCc1cnc(C)c(N2CCN(Cc3ccc(C(=O)NCc4ccccc4OC(F)(F)F)s3)CC2)n1
InChIInChI=1S/C24H26F3N5O2S/c1-16-13-28-17(2)22(30-16)32-11-9-31(10-12-32)15-19-7-8-21(35-19)23(33)29-14-18-5-3-4-6-20(18)34-24(25,26)27/h3-8,13H,9-12,14-15H2,1-2H3,(H,29,33)
InChIKeyFDJYCGHJUIZLCM-UHFFFAOYSA-N
MW505.57 g/mol
LogP4.31
Rot. Bonds7

About 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide

5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 118112700) has the molecular formula C24H26F3N5O2S and a molecular weight of 505.57 g/mol. Its IUPAC name is 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
PubChem CID118112700
Molecular FormulaC24H26F3N5O2S
Molecular Weight505.57 g/mol
Exact Mass505.18
IUPAC Name5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESCc1cnc(C)c(N2CCN(Cc3ccc(C(=O)NCc4ccccc4OC(F)(F)F)s3)CC2)n1
InChIInChI=1S/C24H26F3N5O2S/c1-16-13-28-17(2)22(30-16)32-11-9-31(10-12-32)15-19-7-8-21(35-19)23(33)29-14-18-5-3-4-6-20(18)34-24(25,26)27/h3-8,13H,9-12,14-15H2,1-2H3,(H,29,33)
InChIKeyFDJYCGHJUIZLCM-UHFFFAOYSA-N
XLogP4.31
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.57
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 118112571
CID 118112571
CID 118112604
CID 118112604
CID 118112626
CID 118112626
CID 118112642
CID 118112642
CID 118112663
CID 118112663
CID 118112670
CID 118112670
CID 118112674
CID 118112674
CID 118112711
CID 118112711
CID 118112867
CID 118112867
CID 118112916
CID 118112916
CID 118112955
CID 118112955
CID 118113250
CID 118113250

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (CID 118112700) is 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is Cc1cnc(C)c(N2CCN(Cc3ccc(C(=O)NCc4ccccc4OC(F)(F)F)s3)CC2)n1.
What is the InChIKey of 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is FDJYCGHJUIZLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2S/c1-16-13-28-17(2)22(30-16)32-11-9-31(10-12-32)15-19-7-8-21(35-19)23(33)29-14-18-5-3-4-6-20(18)34-24(25,26)27/h3-8,13H,9-12,14-15H2,1-2H3,(H,29,33).
What are the key properties of 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 505.57 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 118112700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).