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

C17H14F6N4O — CID 138561369

IUPAC2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C17H14F6N4O/c1-8-3-4-9(15(2,28)17(21,22)23)5-10(8)11-6-25-14-13(24)26-12(7-27(11)14)16(18,19)20/h3-7,28H,1-2H3,(H2,24,26)
InChIKeyINWZFSMORTYESL-UHFFFAOYSA-N
MW404.31 g/mol
LogP4.08
Rot. Bonds2

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

2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 138561369) has the molecular formula C17H14F6N4O and a molecular weight of 404.31 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID138561369
Molecular FormulaC17H14F6N4O
Molecular Weight404.31 g/mol
Exact Mass404.11
IUPAC Name2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C17H14F6N4O/c1-8-3-4-9(15(2,28)17(21,22)23)5-10(8)11-6-25-14-13(24)26-12(7-27(11)14)16(18,19)20/h3-7,28H,1-2H3,(H2,24,26)
InChIKeyINWZFSMORTYESL-UHFFFAOYSA-N
XLogP4.08
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.31
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (CID 138561369) is 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-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-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is Cc1ccc(C(C)(O)C(F)(F)F)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]-1,1,1-trifluoropropan-2-ol?
The InChIKey is INWZFSMORTYESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6N4O/c1-8-3-4-9(15(2,28)17(21,22)23)5-10(8)11-6-25-14-13(24)26-12(7-27(11)14)16(18,19)20/h3-7,28H,1-2H3,(H2,24,26).
What are the key properties of 2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[3-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 404.31 g/mol, XLogP of 4.08, 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-methylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 138561369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).