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

C23H24F3N5O2S — CID 118112571

IUPAC5-[[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESCc1cncc(N2CCN(Cc3ccc(C(=O)NCc4ccccc4OC(F)(F)F)s3)CC2)n1
InChIInChI=1S/C23H24F3N5O2S/c1-16-12-27-14-21(29-16)31-10-8-30(9-11-31)15-18-6-7-20(34-18)22(32)28-13-17-4-2-3-5-19(17)33-23(24,25)26/h2-7,12,14H,8-11,13,15H2,1H3,(H,28,32)
InChIKeyXURREAADKBGXAO-UHFFFAOYSA-N
MW491.54 g/mol
LogP4.00
Rot. Bonds7

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

5-[[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (PubChem CID 118112571) has the molecular formula C23H24F3N5O2S and a molecular weight of 491.54 g/mol. Its IUPAC name is 5-[[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
PubChem CID118112571
Molecular FormulaC23H24F3N5O2S
Molecular Weight491.54 g/mol
Exact Mass491.16
IUPAC Name5-[[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide
SMILESCc1cncc(N2CCN(Cc3ccc(C(=O)NCc4ccccc4OC(F)(F)F)s3)CC2)n1
InChIInChI=1S/C23H24F3N5O2S/c1-16-12-27-14-21(29-16)31-10-8-30(9-11-31)15-18-6-7-20(34-18)22(32)28-13-17-4-2-3-5-19(17)33-23(24,25)26/h2-7,12,14H,8-11,13,15H2,1H3,(H,28,32)
InChIKeyXURREAADKBGXAO-UHFFFAOYSA-N
XLogP4.00
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.54
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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 118112700
CID 118112700
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-(6-methylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-[[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide (CID 118112571) is 5-[[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-[[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-[[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is Cc1cncc(N2CCN(Cc3ccc(C(=O)NCc4ccccc4OC(F)(F)F)s3)CC2)n1.
What is the InChIKey of 5-[[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is XURREAADKBGXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O2S/c1-16-12-27-14-21(29-16)31-10-8-30(9-11-31)15-18-6-7-20(34-18)22(32)28-13-17-4-2-3-5-19(17)33-23(24,25)26/h2-7,12,14H,8-11,13,15H2,1H3,(H,28,32).
What are the key properties of 5-[[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide?
5-[[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 491.54 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(6-methylpyrazin-2-yl)piperazin-1-yl]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 118112571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).