2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

C17H13F7N4O — CID 138562310

IUPAC2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1cc(F)c(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C17H13F7N4O/c1-7-3-10(18)9(15(2,29)17(22,23)24)4-8(7)11-5-26-14-13(25)27-12(6-28(11)14)16(19,20)21/h3-6,29H,1-2H3,(H2,25,27)
InChIKeyCFEGAWLLXXVCKI-UHFFFAOYSA-N
MW422.30 g/mol
LogP4.21
Rot. Bonds2

About 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 138562310) has the molecular formula C17H13F7N4O and a molecular weight of 422.30 g/mol. Its IUPAC name is 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID138562310
Molecular FormulaC17H13F7N4O
Molecular Weight422.30 g/mol
Exact Mass422.10
IUPAC Name2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1cc(F)c(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12
InChIInChI=1S/C17H13F7N4O/c1-7-3-10(18)9(15(2,29)17(22,23)24)4-8(7)11-5-26-14-13(25)27-12(6-28(11)14)16(19,20)21/h3-6,29H,1-2H3,(H2,25,27)
InChIKeyCFEGAWLLXXVCKI-UHFFFAOYSA-N
XLogP4.21
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.30
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (CID 138562310) is 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is Cc1cc(F)c(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(C(F)(F)F)cn12.
What is the InChIKey of 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is CFEGAWLLXXVCKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F7N4O/c1-7-3-10(18)9(15(2,29)17(22,23)24)4-8(7)11-5-26-14-13(25)27-12(6-28(11)14)16(19,20)21/h3-6,29H,1-2H3,(H2,25,27).
What are the key properties of 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 422.30 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[8-amino-6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]-2-fluoro-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 138562310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).