2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol

C17H16F4N4O — CID 138562261

IUPAC2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol
SMILESCc1ccc(C(C)(O)CF)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C17H16F4N4O/c1-9-3-4-10(16(2,26)8-18)5-11(9)12-6-23-15-14(22)24-13(7-25(12)15)17(19,20)21/h3-7,26H,8H2,1-2H3,(H2,22,24)
InChIKeyRLLCLUNILBCDTN-UHFFFAOYSA-N
MW368.33 g/mol
LogP3.48
Rot. Bonds3

About 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol

2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol (PubChem CID 138562261) has the molecular formula C17H16F4N4O and a molecular weight of 368.33 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol
PubChem CID138562261
Molecular FormulaC17H16F4N4O
Molecular Weight368.33 g/mol
Exact Mass368.13
IUPAC Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol
SMILESCc1ccc(C(C)(O)CF)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C17H16F4N4O/c1-9-3-4-10(16(2,26)8-18)5-11(9)12-6-23-15-14(22)24-13(7-25(12)15)17(19,20)21/h3-7,26H,8H2,1-2H3,(H2,22,24)
InChIKeyRLLCLUNILBCDTN-UHFFFAOYSA-N
XLogP3.48
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.33
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol 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

TP003
CID 10001434
2-(3-(2-(4-Chlorophenyl)imidazo(1,2-a)-pyridin-6-yl)phenyl)propan-2-ol
CID 24759785
3-[8-Amino-1-[4-(1-hydroxy-1-phenylethyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]-1-methylcyclobutan-1-ol
CID 44468332
2-[2-Fluoro-5-[8-fluoro-7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]benzonitrile
CID 10000391
1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-(pyridin-4-yl)-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407263
1-[4-(8-Amino-3-cyclobutylimidazo[1,5-a]pyrazin-1-yl)phenyl]-1-phenylethanol
CID 44539387
2-(5-(6-Fluoroimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730379
2-(5-(6-Fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730381
6-Fluoro-2-(5-(2-hydroxypropan-2-yl)pyridin-3-yl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 86730382
2-[5-(3-Cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]propan-2-ol
CID 89471892
3,5-Difluoro-4-[6-[4-fluoro-3-(trifluoromethyl)phenyl]-2-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]phenol
CID 137287267
4-[2-Cyclopropyl-6-[4-fluoro-3-(perfluoroethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]-3,5-difluorophenol
CID 137287269

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol?
The IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol (CID 138562261) is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol.
What is the SMILES notation for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol?
The canonical SMILES for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol is Cc1ccc(C(C)(O)CF)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.
What is the InChIKey of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol?
The InChIKey is RLLCLUNILBCDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F4N4O/c1-9-3-4-10(16(2,26)8-18)5-11(9)12-6-23-15-14(22)24-13(7-25(12)15)17(19,20)21/h3-7,26H,8H2,1-2H3,(H2,22,24).
What are the key properties of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol?
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol has a molecular weight of 368.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1-fluoropropan-2-ol is sourced from PubChem (CID 138562261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).