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

C38H30F4N10O2S2 — CID 158252374

IUPAC2-(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
SMILESCCc1nccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3F)nc12.CCc1nccn2c(-c3ccnc(SC)n3)c(-c3ccc(F)cc3F)nc12
InChIInChI=1S/C19H15F2N5O2S.C19H15F2N5S/c1-3-14-18-25-16(12-5-4-11(20)10-13(12)21)17(26(18)9-8-22-14)15-6-7-23-19(24-15)29(2,27)28;1-3-14-18-25-16(12-5-4-11(20)10-13(12)21)17(26(18)9-8-22-14)15-6-7-23-19(24-15)27-2/h4-10H,3H2,1-2H3;4-10H,3H2,1-2H3
InChIKeyGGWIKGGAVPRYGJ-UHFFFAOYSA-N
MW798.85 g/mol
LogP7.51
Rot. Bonds8

About 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

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 (PubChem CID 158252374) has the molecular formula C38H30F4N10O2S2 and a molecular weight of 798.85 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID158252374
Molecular FormulaC38H30F4N10O2S2
Molecular Weight798.85 g/mol
Exact Mass798.19
IUPAC Name2-(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
SMILESCCc1nccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3F)nc12.CCc1nccn2c(-c3ccnc(SC)n3)c(-c3ccc(F)cc3F)nc12
InChIInChI=1S/C19H15F2N5O2S.C19H15F2N5S/c1-3-14-18-25-16(12-5-4-11(20)10-13(12)21)17(26(18)9-8-22-14)15-6-7-23-19(24-15)29(2,27)28;1-3-14-18-25-16(12-5-4-11(20)10-13(12)21)17(26(18)9-8-22-14)15-6-7-23-19(24-15)27-2/h4-10H,3H2,1-2H3;4-10H,3H2,1-2H3
InChIKeyGGWIKGGAVPRYGJ-UHFFFAOYSA-N
XLogP7.51
TPSA146.08 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500798.85
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

2-(2,4-difluorophenyl)-8-ethyl-3-pyrimidin-4-ylimidazo[1,2-a]pyrazine
CID 141216619
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)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine
CID 154072131
8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 154072130
2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
CID 68676687
8-methyl-2-(6-methyl-2-pyridinyl)-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyridine
CID 66679140
3-(2-aminopyrimidin-4-yl)-2-(2,4-difluorophenyl)imidazo[1,2-a]pyridine-7-carbaldehyde
CID 24746039
2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)-7-oxidoimidazo[1,2-a]pyrazin-7-ium
CID 58869534
4-[1-(2,2-difluoroethyl)-3-iodopyrazol-4-yl]-2-methylsulfanylpyrimidine;4-[1-(2,2-difluoroethyl)-3-iodopyrazol-4-yl]-2-methylsulfonylpyrimidine
CID 158393141
6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
CID 171855251
1-[4-[[4-[6-(2,4-difluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]ethanone
CID 57433755
[3-(2-aminopyrimidin-4-yl)-2-(4-ethyl-2-fluorophenyl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 142199373

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nccn2c(-c3ccnc(S(C)(=O)=O)n3)c(-c3ccc(F)cc3F)nc12.CCc1nccn2c(-c3ccnc(SC)n3)c(-c3ccc(F)cc3F)nc12.
What is the InChIKey of 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?
The InChIKey is GGWIKGGAVPRYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N5O2S.C19H15F2N5S/c1-3-14-18-25-16(12-5-4-11(20)10-13(12)21)17(26(18)9-8-22-14)15-6-7-23-19(24-15)29(2,27)28;1-3-14-18-25-16(12-5-4-11(20)10-13(12)21)17(26(18)9-8-22-14)15-6-7-23-19(24-15)27-2/h4-10H,3H2,1-2H3;4-10H,3H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 798.85 g/mol, XLogP of 7.51, 8 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158252374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).