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

C19H14F3N5O2S — CID 154072130

IUPAC8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESCc1nccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C19H14F3N5O2S/c1-11-17-26-15(12-3-5-13(6-4-12)19(20,21)22)16(27(17)10-9-23-11)14-7-8-24-18(25-14)30(2,28)29/h3-10H,1-2H3
InChIKeyZWQSBXFVQGOJOL-UHFFFAOYSA-N
MW433.42 g/mol
LogP3.58
Rot. Bonds3

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

8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 154072130) has the molecular formula C19H14F3N5O2S and a molecular weight of 433.42 g/mol. Its IUPAC name is 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
PubChem CID154072130
Molecular FormulaC19H14F3N5O2S
Molecular Weight433.42 g/mol
Exact Mass433.08
IUPAC Name8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
SMILESCc1nccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C19H14F3N5O2S/c1-11-17-26-15(12-3-5-13(6-4-12)19(20,21)22)16(27(17)10-9-23-11)14-7-8-24-18(25-14)30(2,28)29/h3-10H,1-2H3
InChIKeyZWQSBXFVQGOJOL-UHFFFAOYSA-N
XLogP3.58
TPSA90.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine
CID 154072131
2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
CID 68676687
3-(2-methylsulfonylpyrimidin-4-yl)-7-oxido-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-7-ium
CID 58869541
8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine
CID 66679140
3-[[4-[2-(4-fluorophenyl)-8-methylimidazo[1,2-a]pyrazin-3-yl]pyrimidin-2-yl]amino]-2,2-dimethylpropanoic acid
CID 57438777
2-(4-fluorophenyl)-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine;2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
CID 159993594
2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)-7-oxidoimidazo[1,2-a]pyrazin-7-ium
CID 58869534
2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfanylpyrimidin-4-yl)imidazo[1,2-a]pyrazine;2-(2,4-difluorophenyl)-8-ethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
CID 158252374
4-methyl-2-methylsulfonyl-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 18356784
6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
CID 171855251
N-cyclopropyl-4-[2-(4-fluorophenyl)-7-oxidoimidazo[1,2-a]pyrazin-7-ium-3-yl]pyrimidin-2-amine;2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)-7-oxidoimidazo[1,2-a]pyrazin-7-ium
CID 162149593
3-(4-fluorophenyl)-2-(4-methylsulfonylphenyl)-8-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 139788743

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The IUPAC name of 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine (CID 154072130) is 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is Cc1nccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
The InChIKey is ZWQSBXFVQGOJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5O2S/c1-11-17-26-15(12-3-5-13(6-4-12)19(20,21)22)16(27(17)10-9-23-11)14-7-8-24-18(25-14)30(2,28)29/h3-10H,1-2H3.
What are the key properties of 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine?
8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 433.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 154072130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).