7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C13H12BrF3N4 — CID 129185217

IUPAC7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC1c2nccn2CC(C(F)(F)F)N1c1cncc(Br)c1
InChIInChI=1S/C13H12BrF3N4/c1-8-12-19-2-3-20(12)7-11(13(15,16)17)21(8)10-4-9(14)5-18-6-10/h2-6,8,11H,7H2,1H3
InChIKeyPXQUSPKNTDQOMU-UHFFFAOYSA-N
MW361.17 g/mol
LogP3.55
Rot. Bonds1

About 7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 129185217) has the molecular formula C13H12BrF3N4 and a molecular weight of 361.17 g/mol. Its IUPAC name is 7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID129185217
Molecular FormulaC13H12BrF3N4
Molecular Weight361.17 g/mol
Exact Mass360.02
IUPAC Name7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCC1c2nccn2CC(C(F)(F)F)N1c1cncc(Br)c1
InChIInChI=1S/C13H12BrF3N4/c1-8-12-19-2-3-20(12)7-11(13(15,16)17)21(8)10-4-9(14)5-18-6-10/h2-6,8,11H,7H2,1H3
InChIKeyPXQUSPKNTDQOMU-UHFFFAOYSA-N
XLogP3.55
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.17
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 129185217) is 7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is CC1c2nccn2CC(C(F)(F)F)N1c1cncc(Br)c1.
What is the InChIKey of 7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is PXQUSPKNTDQOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF3N4/c1-8-12-19-2-3-20(12)7-11(13(15,16)17)21(8)10-4-9(14)5-18-6-10/h2-6,8,11H,7H2,1H3.
What are the key properties of 7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 361.17 g/mol, XLogP of 3.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-bromo-3-pyridinyl)-8-methyl-6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 129185217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).