8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one

C14H11BrF4N4O — CID 126728919

IUPAC8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one
SMILESNC1=NC(c2cc(Br)ccc2F)Cn2c1cn(CC(F)(F)F)c2=O
InChIInChI=1S/C14H11BrF4N4O/c15-7-1-2-9(16)8(3-7)10-4-23-11(12(20)21-10)5-22(13(23)24)6-14(17,18)19/h1-3,5,10H,4,6H2,(H2,20,21)
InChIKeyWJLIXRGIBFTEHX-UHFFFAOYSA-N
MW407.17 g/mol
LogP2.57
Rot. Bonds2

About 8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one

8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one (PubChem CID 126728919) has the molecular formula C14H11BrF4N4O and a molecular weight of 407.17 g/mol. Its IUPAC name is 8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one
PubChem CID126728919
Molecular FormulaC14H11BrF4N4O
Molecular Weight407.17 g/mol
Exact Mass406.01
IUPAC Name8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one
SMILESNC1=NC(c2cc(Br)ccc2F)Cn2c1cn(CC(F)(F)F)c2=O
InChIInChI=1S/C14H11BrF4N4O/c15-7-1-2-9(16)8(3-7)10-4-23-11(12(20)21-10)5-22(13(23)24)6-14(17,18)19/h1-3,5,10H,4,6H2,(H2,20,21)
InChIKeyWJLIXRGIBFTEHX-UHFFFAOYSA-N
XLogP2.57
TPSA65.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.17
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one?
The IUPAC name of 8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one (CID 126728919) is 8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for 8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for 8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one is NC1=NC(c2cc(Br)ccc2F)Cn2c1cn(CC(F)(F)F)c2=O.
What is the InChIKey of 8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one?
The InChIKey is WJLIXRGIBFTEHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF4N4O/c15-7-1-2-9(16)8(3-7)10-4-23-11(12(20)21-10)5-22(13(23)24)6-14(17,18)19/h1-3,5,10H,4,6H2,(H2,20,21).
What are the key properties of 8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one?
8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one has a molecular weight of 407.17 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-amino-6-(5-bromo-2-fluorophenyl)-2-(2,2,2-trifluoroethyl)-5,6-dihydroimidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 126728919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).