N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

C22H17F3N4O3S — CID 90157669

IUPACN-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H17F3N4O3S/c1-28(16-7-9-17(10-8-16)33(2,31)32)21(30)18-13-29-19(11-27-20(29)12-26-18)14-3-5-15(6-4-14)22(23,24)25/h3-13H,1-2H3
InChIKeyJGHZXIZDIKVVRK-UHFFFAOYSA-N
MW474.46 g/mol
LogP4.10
Rot. Bonds4

About N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide

N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (PubChem CID 90157669) has the molecular formula C22H17F3N4O3S and a molecular weight of 474.46 g/mol. Its IUPAC name is N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
PubChem CID90157669
Molecular FormulaC22H17F3N4O3S
Molecular Weight474.46 g/mol
Exact Mass474.10
IUPAC NameN-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
SMILESCN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C22H17F3N4O3S/c1-28(16-7-9-17(10-8-16)33(2,31)32)21(30)18-13-29-19(11-27-20(29)12-26-18)14-3-5-15(6-4-14)22(23,24)25/h3-13H,1-2H3
InChIKeyJGHZXIZDIKVVRK-UHFFFAOYSA-N
XLogP4.10
TPSA84.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The IUPAC name of N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide (CID 90157669) is N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide.
What is the SMILES notation for N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The canonical SMILES for N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is CN(C(=O)c1cn2c(-c3ccc(C(F)(F)F)cc3)cnc2cn1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
The InChIKey is JGHZXIZDIKVVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N4O3S/c1-28(16-7-9-17(10-8-16)33(2,31)32)21(30)18-13-29-19(11-27-20(29)12-26-18)14-3-5-15(6-4-14)22(23,24)25/h3-13H,1-2H3.
What are the key properties of N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide?
N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide has a molecular weight of 474.46 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-methylsulfonylphenyl)-3-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide is sourced from PubChem (CID 90157669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).