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

C18H16F6N4O2 — CID 138562236

IUPAC3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutane-1,3-diol
SMILESCc1ccc(C(O)(CCO)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C18H16F6N4O2/c1-9-2-3-10(16(30,4-5-29)18(22,23)24)6-11(9)12-7-26-15-14(25)27-13(8-28(12)15)17(19,20)21/h2-3,6-8,29-30H,4-5H2,1H3,(H2,25,27)
InChIKeyHYIIEJPNGKMKNA-UHFFFAOYSA-N
MW434.34 g/mol
LogP3.44
Rot. Bonds4

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

3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutane-1,3-diol (PubChem CID 138562236) has the molecular formula C18H16F6N4O2 and a molecular weight of 434.34 g/mol. Its IUPAC name is 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutane-1,3-diol.

Molecular Properties

Compound Name3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutane-1,3-diol
PubChem CID138562236
Molecular FormulaC18H16F6N4O2
Molecular Weight434.34 g/mol
Exact Mass434.12
IUPAC Name3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutane-1,3-diol
SMILESCc1ccc(C(O)(CCO)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C18H16F6N4O2/c1-9-2-3-10(16(30,4-5-29)18(22,23)24)6-11(9)12-7-26-15-14(25)27-13(8-28(12)15)17(19,20)21/h2-3,6-8,29-30H,4-5H2,1H3,(H2,25,27)
InChIKeyHYIIEJPNGKMKNA-UHFFFAOYSA-N
XLogP3.44
TPSA96.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.34
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

TP003
CID 10001434
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
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
3,5-Difluoro-4-[6-[4-fluoro-3-(perfluoroethyl)phenyl]-2-methylimidazo[1,2-a]pyrazin-3-yl]phenol
CID 137287279
3-Fluoro-4-[2-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401383
3,5-Difluoro-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401399

Frequently Asked Questions

What is the IUPAC name of 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutane-1,3-diol?
The IUPAC name of 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutane-1,3-diol (CID 138562236) is 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutane-1,3-diol.
What is the SMILES notation for 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutane-1,3-diol?
The canonical SMILES for 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutane-1,3-diol is Cc1ccc(C(O)(CCO)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.
What is the InChIKey of 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutane-1,3-diol?
The InChIKey is HYIIEJPNGKMKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F6N4O2/c1-9-2-3-10(16(30,4-5-29)18(22,23)24)6-11(9)12-7-26-15-14(25)27-13(8-28(12)15)17(19,20)21/h2-3,6-8,29-30H,4-5H2,1H3,(H2,25,27).
What are the key properties of 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutane-1,3-diol?
3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutane-1,3-diol has a molecular weight of 434.34 g/mol, XLogP of 3.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluorobutane-1,3-diol is sourced from PubChem (CID 138562236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).