(6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one

C15H16BrFN4O — CID 121296172

IUPAC(6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one
SMILESCCn1cc2n(c1=O)C[C@@](C)(c1cc(Br)ccc1F)N=C2N
InChIInChI=1S/C15H16BrFN4O/c1-3-20-7-12-13(18)19-15(2,8-21(12)14(20)22)10-6-9(16)4-5-11(10)17/h4-7H,3,8H2,1-2H3,(H2,18,19)/t15-/m0/s1
InChIKeyGKTLFXZYBHXSOY-HNNXBMFYSA-N
MW367.22 g/mol
LogP2.21
Rot. Bonds2

About (6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one

(6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one (PubChem CID 121296172) has the molecular formula C15H16BrFN4O and a molecular weight of 367.22 g/mol. Its IUPAC name is (6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one.

Molecular Properties

Compound Name(6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one
PubChem CID121296172
Molecular FormulaC15H16BrFN4O
Molecular Weight367.22 g/mol
Exact Mass366.05
IUPAC Name(6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one
SMILESCCn1cc2n(c1=O)C[C@@](C)(c1cc(Br)ccc1F)N=C2N
InChIInChI=1S/C15H16BrFN4O/c1-3-20-7-12-13(18)19-15(2,8-21(12)14(20)22)10-6-9(16)4-5-11(10)17/h4-7H,3,8H2,1-2H3,(H2,18,19)/t15-/m0/s1
InChIKeyGKTLFXZYBHXSOY-HNNXBMFYSA-N
XLogP2.21
TPSA65.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.22
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one?
The IUPAC name of (6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one (CID 121296172) is (6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one.
What is the SMILES notation for (6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one?
The canonical SMILES for (6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one is CCn1cc2n(c1=O)C[C@@](C)(c1cc(Br)ccc1F)N=C2N.
What is the InChIKey of (6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one?
The InChIKey is GKTLFXZYBHXSOY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16BrFN4O/c1-3-20-7-12-13(18)19-15(2,8-21(12)14(20)22)10-6-9(16)4-5-11(10)17/h4-7H,3,8H2,1-2H3,(H2,18,19)/t15-/m0/s1.
What are the key properties of (6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one?
(6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one has a molecular weight of 367.22 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-8-amino-6-(5-bromo-2-fluorophenyl)-2-ethyl-6-methyl-5H-imidazo[1,5-a]pyrazin-3-one is sourced from PubChem (CID 121296172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).