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

C16H11F7N4O — CID 138562415

IUPAC2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(F)c(-c2cnc3c(N)nc(C(F)(F)F)cn23)c1)C(F)(F)F
InChIInChI=1S/C16H11F7N4O/c1-14(28,16(21,22)23)7-2-3-9(17)8(4-7)10-5-25-13-12(24)26-11(6-27(10)13)15(18,19)20/h2-6,28H,1H3,(H2,24,26)
InChIKeySEFNPZNTENCNMU-UHFFFAOYSA-N
MW408.28 g/mol
LogP3.91
Rot. Bonds2

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

2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 138562415) has the molecular formula C16H11F7N4O and a molecular weight of 408.28 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID138562415
Molecular FormulaC16H11F7N4O
Molecular Weight408.28 g/mol
Exact Mass408.08
IUPAC Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(c1ccc(F)c(-c2cnc3c(N)nc(C(F)(F)F)cn23)c1)C(F)(F)F
InChIInChI=1S/C16H11F7N4O/c1-14(28,16(21,22)23)7-2-3-9(17)8(4-7)10-5-25-13-12(24)26-11(6-27(10)13)15(18,19)20/h2-6,28H,1H3,(H2,24,26)
InChIKeySEFNPZNTENCNMU-UHFFFAOYSA-N
XLogP3.91
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.28
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
CID 138561369
2-[3-[8-amino-6-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyrazin-3-yl]-4-(trideuteriomethyl)phenyl]-1,1,1-trifluoropropan-2-ol
CID 138561909
CID 142562208
CID 142562208
2-[3-[8-amino-6-[(E)-prop-1-enyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
CID 158650156
3-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-4,4,4-trifluoro-3-hydroxy-N,2,2-trimethylbutanamide
CID 138562354
8-amino-N-(2-hydroxy-2-methylpropyl)-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 138561869
2-[8-amino-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazin-6-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
CID 138619508
1-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]phenyl]ethanone
CID 138562277
8-amino-N-[1-(hydroxymethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 166756579
2-[3-[8-amino-6-(3-methyl-1,2-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
CID 138619378
3-propan-2-yl-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-amine
CID 146600515
8-amino-N-[(1-cyanocyclobutyl)methyl]-3-[2-methyl-5-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]imidazo[1,2-a]pyrazine-6-carboxamide;2,2,2-trifluoroacetic acid
CID 138619337

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol (CID 138562415) is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-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]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol is CC(O)(c1ccc(F)c(-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]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is SEFNPZNTENCNMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F7N4O/c1-14(28,16(21,22)23)7-2-3-9(17)8(4-7)10-5-25-13-12(24)26-11(6-27(10)13)15(18,19)20/h2-6,28H,1H3,(H2,24,26).
What are the key properties of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol?
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 408.28 g/mol, XLogP of 3.91, 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]-4-fluorophenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 138562415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).