6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine

C12H12BrF3N4 — CID 170783971

IUPAC6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine
SMILESCc1nc2c(N3CCC(F)(F)CC3)nc(Br)cn2c1F
InChIInChI=1S/C12H12BrF3N4/c1-7-9(14)20-6-8(13)18-10(11(20)17-7)19-4-2-12(15,16)3-5-19/h6H,2-5H2,1H3
InChIKeyWUHYCFXCBATWTE-UHFFFAOYSA-N
MW349.15 g/mol
LogP3.17
Rot. Bonds1

About 6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine

6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine (PubChem CID 170783971) has the molecular formula C12H12BrF3N4 and a molecular weight of 349.15 g/mol. Its IUPAC name is 6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine
PubChem CID170783971
Molecular FormulaC12H12BrF3N4
Molecular Weight349.15 g/mol
Exact Mass348.02
IUPAC Name6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine
SMILESCc1nc2c(N3CCC(F)(F)CC3)nc(Br)cn2c1F
InChIInChI=1S/C12H12BrF3N4/c1-7-9(14)20-6-8(13)18-10(11(20)17-7)19-4-2-12(15,16)3-5-19/h6H,2-5H2,1H3
InChIKeyWUHYCFXCBATWTE-UHFFFAOYSA-N
XLogP3.17
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.15
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine (CID 170783971) is 6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine is Cc1nc2c(N3CCC(F)(F)CC3)nc(Br)cn2c1F.
What is the InChIKey of 6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine?
The InChIKey is WUHYCFXCBATWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF3N4/c1-7-9(14)20-6-8(13)18-10(11(20)17-7)19-4-2-12(15,16)3-5-19/h6H,2-5H2,1H3.
What are the key properties of 6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine?
6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine has a molecular weight of 349.15 g/mol, XLogP of 3.17, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-(4,4-difluoropiperidin-1-yl)-3-fluoro-2-methylimidazo[1,2-a]pyrazine is sourced from PubChem (CID 170783971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).