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

C34H24F2N10O2S2 — CID 159993594

IUPAC2-(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
SMILESCS(=O)(=O)c1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1.CSc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIInChI=1S/C17H12FN5O2S.C17H12FN5S/c1-26(24,25)17-20-7-6-13(21-17)16-15(11-2-4-12(18)5-3-11)22-14-10-19-8-9-23(14)16;1-24-17-20-7-6-13(21-17)16-15(11-2-4-12(18)5-3-11)22-14-10-19-8-9-23(14)16/h2-10H,1H3;2-10H,1H3
InChIKeyOHGLLTNTEYSGCI-UHFFFAOYSA-N
MW706.76 g/mol
LogP6.11
Rot. Bonds6

About 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

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 (PubChem CID 159993594) has the molecular formula C34H24F2N10O2S2 and a molecular weight of 706.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID159993594
Molecular FormulaC34H24F2N10O2S2
Molecular Weight706.76 g/mol
Exact Mass706.15
IUPAC Name2-(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
SMILESCS(=O)(=O)c1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1.CSc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1
InChIInChI=1S/C17H12FN5O2S.C17H12FN5S/c1-26(24,25)17-20-7-6-13(21-17)16-15(11-2-4-12(18)5-3-11)22-14-10-19-8-9-23(14)16;1-24-17-20-7-6-13(21-17)16-15(11-2-4-12(18)5-3-11)22-14-10-19-8-9-23(14)16/h2-10H,1H3;2-10H,1H3
InChIKeyOHGLLTNTEYSGCI-UHFFFAOYSA-N
XLogP6.11
TPSA146.08 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500706.76
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)-7-oxidoimidazo[1,2-a]pyrazin-7-ium
CID 58869534
2-(4-fluorophenyl)-6,8-dimethyl-3-(2-methylsulfonylpyrimidin-4-yl)imidazo[1,2-a]pyrazine
CID 68676687
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
2-(4-fluorophenyl)-3-(2-methylsulfonylpyrimidin-4-yl)-8-(2,2,2-trifluoroethoxy)imidazo[1,2-a]pyrazine
CID 154072131
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
8-methyl-3-(2-methylsulfonylpyrimidin-4-yl)-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 154072130
3-fluoro-2-(4-fluorophenyl)imidazo[1,2-a]pyrazine
CID 150099742
6-[4-fluoro-3-[(4-fluorophenyl)methoxy]phenyl]-5-(2-methylsulfonylpyrimidin-4-yl)imidazo[2,1-b][1,3]thiazole
CID 171855251
bis([6-(4-fluorophenyl)-7-(2-methylsulfanylpyrimidin-4-yl)-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-2-yl] 2,2-dimethylpropanoate);bis([6-(4-fluorophenyl)-7-(2-methylsulfonylpyrimidin-4-yl)-5-oxo-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-2-yl] 2,2-dimethylpropanoate);[6-(4-fluorophenyl)-5-oxo-7-(2-phenoxypyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-2-yl] 2,2-dimethylpropanoate
CID 161191336
(5S)-2-(4-fluorophenyl)-5-(imidazol-1-ylmethyl)-3-(2-methylsulfanylpyrimidin-4-yl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
CID 59641223
4-[2-(4-methylphenyl)imidazo[1,2-a]pyrazin-3-yl]-N-piperidin-4-ylpyrimidin-2-amine
CID 143422530
bis(2-(dimethylamino)-6-(4-fluorophenyl)-7-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one);2-(dimethylamino)-6-(4-fluorophenyl)-7-(2-methylsulfonylpyrimidin-4-yl)-2,3-dihydro-1H-pyrazolo[1,2-a]pyrazol-5-one;bis(1-[4-(dimethylamino)-2-(2-methylsulfanylpyrimidine-4-carbonyl)pyrazolidin-1-yl]-2-(4-fluorophenyl)ethanone)
CID 160767844

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CS(=O)(=O)c1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1.CSc1nccc(-c2c(-c3ccc(F)cc3)nc3cnccn23)n1.
What is the InChIKey of 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?
The InChIKey is OHGLLTNTEYSGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FN5O2S.C17H12FN5S/c1-26(24,25)17-20-7-6-13(21-17)16-15(11-2-4-12(18)5-3-11)22-14-10-19-8-9-23(14)16;1-24-17-20-7-6-13(21-17)16-15(11-2-4-12(18)5-3-11)22-14-10-19-8-9-23(14)16/h2-10H,1H3;2-10H,1H3.
What are the key properties of 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?
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 has a molecular weight of 706.76 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159993594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).