2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide

C16H17ClF3N7O2 — CID 167755016

IUPAC2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide
SMILESCc1nn(-c2cncc(Cl)n2)c(C)c1CC(=O)NN1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C16H17ClF3N7O2/c1-9-11(10(2)27(23-9)13-7-21-6-12(17)22-13)5-14(28)24-26-4-3-25(15(26)29)8-16(18,19)20/h6-7H,3-5,8H2,1-2H3,(H,24,28)
InChIKeyVFYZRBLKLPJDIN-UHFFFAOYSA-N
MW431.81 g/mol
LogP1.81
Rot. Bonds5

About 2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide

2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide (PubChem CID 167755016) has the molecular formula C16H17ClF3N7O2 and a molecular weight of 431.81 g/mol. Its IUPAC name is 2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide.

Molecular Properties

Compound Name2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide
PubChem CID167755016
Molecular FormulaC16H17ClF3N7O2
Molecular Weight431.81 g/mol
Exact Mass431.11
IUPAC Name2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide
SMILESCc1nn(-c2cncc(Cl)n2)c(C)c1CC(=O)NN1CCN(CC(F)(F)F)C1=O
InChIInChI=1S/C16H17ClF3N7O2/c1-9-11(10(2)27(23-9)13-7-21-6-12(17)22-13)5-14(28)24-26-4-3-25(15(26)29)8-16(18,19)20/h6-7H,3-5,8H2,1-2H3,(H,24,28)
InChIKeyVFYZRBLKLPJDIN-UHFFFAOYSA-N
XLogP1.81
TPSA96.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.81
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide?
The IUPAC name of 2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide (CID 167755016) is 2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide.
What is the SMILES notation for 2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide?
The canonical SMILES for 2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide is Cc1nn(-c2cncc(Cl)n2)c(C)c1CC(=O)NN1CCN(CC(F)(F)F)C1=O.
What is the InChIKey of 2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide?
The InChIKey is VFYZRBLKLPJDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClF3N7O2/c1-9-11(10(2)27(23-9)13-7-21-6-12(17)22-13)5-14(28)24-26-4-3-25(15(26)29)8-16(18,19)20/h6-7H,3-5,8H2,1-2H3,(H,24,28).
What are the key properties of 2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide?
2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide has a molecular weight of 431.81 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-chloropyrazin-2-yl)-3,5-dimethylpyrazol-4-yl]-N-[2-oxo-3-(2,2,2-trifluoroethyl)imidazolidin-1-yl]acetamide is sourced from PubChem (CID 167755016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).