8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine

C19H14F3N5O3S — CID 68677005

IUPAC8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
SMILESCc1nccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3cccc(OC(F)(F)F)c3)nc12
InChIInChI=1S/C19H14F3N5O3S/c1-11-17-26-15(12-4-3-5-13(10-12)30-19(20,21)22)16(27(17)9-8-23-11)14-6-7-24-18(25-14)31(2,28)29/h3-10H,1-2H3
InChIKeyGIBMCQABSVHVCD-UHFFFAOYSA-N
MW449.41 g/mol
LogP3.46
Rot. Bonds4

About 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine

8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 68677005) has the molecular formula C19H14F3N5O3S and a molecular weight of 449.41 g/mol. Its IUPAC name is 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
PubChem CID68677005
Molecular FormulaC19H14F3N5O3S
Molecular Weight449.41 g/mol
Exact Mass449.08
IUPAC Name8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine
SMILESCc1nccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3cccc(OC(F)(F)F)c3)nc12
InChIInChI=1S/C19H14F3N5O3S/c1-11-17-26-15(12-4-3-5-13(10-12)30-19(20,21)22)16(27(17)9-8-23-11)14-6-7-24-18(25-14)31(2,28)29/h3-10H,1-2H3
InChIKeyGIBMCQABSVHVCD-UHFFFAOYSA-N
XLogP3.46
TPSA99.34 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine (CID 68677005) is 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine is Cc1nccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3cccc(OC(F)(F)F)c3)nc12.
What is the InChIKey of 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is GIBMCQABSVHVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O3S/c1-11-17-26-15(12-4-3-5-13(10-12)30-19(20,21)22)16(27(17)9-8-23-11)14-6-7-24-18(25-14)31(2,28)29/h3-10H,1-2H3.
What are the key properties of 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine?
8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 449.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[3-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 68677005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).