[2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate

C21H15F6N5O4 — CID 155355189

IUPAC[2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate
SMILESCc1ccc(C(CO)(OC(=O)C(F)(F)F)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnco3)cn12
InChIInChI=1S/C21H15F6N5O4/c1-10-2-3-11(19(8-33,21(25,26)27)36-18(34)20(22,23)24)4-12(10)14-5-30-17-16(28)31-13(7-32(14)17)15-6-29-9-35-15/h2-7,9,33H,8H2,1H3,(H2,28,31)
InChIKeyOUORFGGPELLYGG-UHFFFAOYSA-N
MW515.37 g/mol
LogP3.80
Rot. Bonds5

About [2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate

[2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate (PubChem CID 155355189) has the molecular formula C21H15F6N5O4 and a molecular weight of 515.37 g/mol. Its IUPAC name is [2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate
PubChem CID155355189
Molecular FormulaC21H15F6N5O4
Molecular Weight515.37 g/mol
Exact Mass515.10
IUPAC Name[2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate
SMILESCc1ccc(C(CO)(OC(=O)C(F)(F)F)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnco3)cn12
InChIInChI=1S/C21H15F6N5O4/c1-10-2-3-11(19(8-33,21(25,26)27)36-18(34)20(22,23)24)4-12(10)14-5-30-17-16(28)31-13(7-32(14)17)15-6-29-9-35-15/h2-7,9,33H,8H2,1H3,(H2,28,31)
InChIKeyOUORFGGPELLYGG-UHFFFAOYSA-N
XLogP3.80
TPSA128.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.37
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze [2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate?
The IUPAC name of [2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate (CID 155355189) is [2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate?
The canonical SMILES for [2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate is Cc1ccc(C(CO)(OC(=O)C(F)(F)F)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnco3)cn12.
What is the InChIKey of [2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate?
The InChIKey is OUORFGGPELLYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F6N5O4/c1-10-2-3-11(19(8-33,21(25,26)27)36-18(34)20(22,23)24)4-12(10)14-5-30-17-16(28)31-13(7-32(14)17)15-6-29-9-35-15/h2-7,9,33H,8H2,1H3,(H2,28,31).
What are the key properties of [2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate?
[2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate has a molecular weight of 515.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-3-hydroxypropan-2-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 155355189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).