2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol

C21H19FN4O3S — CID 135742054

IUPAC2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCc1nc2c(NCc3cccc(S(C)(=O)=O)c3)nccn2c1-c1ccc(O)c(F)c1
InChIInChI=1S/C21H19FN4O3S/c1-13-19(15-6-7-18(27)17(22)11-15)26-9-8-23-20(21(26)25-13)24-12-14-4-3-5-16(10-14)30(2,28)29/h3-11,27H,12H2,1-2H3,(H,23,24)
InChIKeyIMHZCCZYPHJVMS-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.57
Rot. Bonds5

About 2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol

2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol (PubChem CID 135742054) has the molecular formula C21H19FN4O3S and a molecular weight of 426.47 g/mol. Its IUPAC name is 2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol.

Molecular Properties

Compound Name2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
PubChem CID135742054
Molecular FormulaC21H19FN4O3S
Molecular Weight426.47 g/mol
Exact Mass426.12
IUPAC Name2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
SMILESCc1nc2c(NCc3cccc(S(C)(=O)=O)c3)nccn2c1-c1ccc(O)c(F)c1
InChIInChI=1S/C21H19FN4O3S/c1-13-19(15-6-7-18(27)17(22)11-15)26-9-8-23-20(21(26)25-13)24-12-14-4-3-5-16(10-14)30(2,28)29/h3-11,27H,12H2,1-2H3,(H,23,24)
InChIKeyIMHZCCZYPHJVMS-UHFFFAOYSA-N
XLogP3.57
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol 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

4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
4-[(5-Thiophen-2-ylimidazo[4,5-b]pyrazin-3-yl)methyl]phenol
CID 11347373
4-[[5-(4-Fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol
CID 11347754
4-[3-[4-(Dimethylamino)phenyl]imidazo[1,2-a]pyrazin-6-yl]phenol
CID 117769710
4-[8-[(4-Methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 135931654
4-[[[3-(4-Hydroxyphenyl)-2-methylimidazo[1,2-a]pyrazin-8-yl]amino]methyl]benzenesulfonamide
CID 135998280
4-[1-[[3-(4-Hydroxyphenyl)imidazo[1,2-a]pyrazin-8-yl]amino]ethyl]benzenesulfonamide
CID 135998317
4-[2-Methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 135998318
3,5-Difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol
CID 137287267
3,5-Difluoro-4-[6-[4-fluoro-3-(perfluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol
CID 137287279
4-[2-Cyclopropyl-6-(4-fluoro-3-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
CID 137301405
4-(6-Phenylimidazo[1,2-a]pyrazin-3-yl)phenol
CID 141381328

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The IUPAC name of 2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol (CID 135742054) is 2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol.
What is the SMILES notation for 2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The canonical SMILES for 2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol is Cc1nc2c(NCc3cccc(S(C)(=O)=O)c3)nccn2c1-c1ccc(O)c(F)c1.
What is the InChIKey of 2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
The InChIKey is IMHZCCZYPHJVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O3S/c1-13-19(15-6-7-18(27)17(22)11-15)26-9-8-23-20(21(26)25-13)24-12-14-4-3-5-16(10-14)30(2,28)29/h3-11,27H,12H2,1-2H3,(H,23,24).
What are the key properties of 2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol?
2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol has a molecular weight of 426.47 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol is sourced from PubChem (CID 135742054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).