2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol

C16H12F6N4O — CID 138561438

IUPAC2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cccc(-c2cnc3c(N)nc(C(F)(F)F)cn23)c1)C(F)(F)F
InChIInChI=1S/C16H12F6N4O/c1-14(27,16(20,21)22)9-4-2-3-8(5-9)10-6-24-13-12(23)25-11(7-26(10)13)15(17,18)19/h2-7,27H,1H3,(H2,23,25)
InChIKeyMNLUURKZLPXCDG-UHFFFAOYSA-N
MW390.29 g/mol
LogP3.77
Rot. Bonds2

About 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol

2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 138561438) has the molecular formula C16H12F6N4O and a molecular weight of 390.29 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID138561438
Molecular FormulaC16H12F6N4O
Molecular Weight390.29 g/mol
Exact Mass390.09
IUPAC Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1cccc(-c2cnc3c(N)nc(C(F)(F)F)cn23)c1)C(F)(F)F
InChIInChI=1S/C16H12F6N4O/c1-14(27,16(20,21)22)9-4-2-3-8(5-9)10-6-24-13-12(23)25-11(7-26(10)13)15(17,18)19/h2-7,27H,1H3,(H2,23,25)
InChIKeyMNLUURKZLPXCDG-UHFFFAOYSA-N
XLogP3.77
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-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
4-{2-amino-1-methyl-1H-imidazo[4,5-b]pyridin-6-yl}phenol
CID 15897928
4-Imidazo[1,2-a]pyridin-2-yl-phenol
CID 16682232
4-[3-(Cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 856590
2-(3-(3-(3,5-Difluoropyridin-2-yl)-4-fluorophenyl)imidazo[1,2-a]pyrimidin-7-yl)propan-2-ol
CID 10293389
4-[[5-(4-Fluorophenyl)imidazo[4,5-b]pyrazin-3-yl]methyl]phenol
CID 11347754
(E)-3-(1-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl)-2-isopropyl-1H-imidazol-5-yl)acrylonitrile
CID 44407205
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
(3-(2-aminopyrimidin-4-yl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-7-yl)methanol
CID 44410563

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol (CID 138561438) is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1cccc(-c2cnc3c(N)nc(C(F)(F)F)cn23)c1)C(F)(F)F.
What is the InChIKey of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is MNLUURKZLPXCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N4O/c1-14(27,16(20,21)22)9-4-2-3-8(5-9)10-6-24-13-12(23)25-11(7-26(10)13)15(17,18)19/h2-7,27H,1H3,(H2,23,25).
What are the key properties of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol?
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 390.29 g/mol, XLogP of 3.77, 2 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]phenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 138561438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).