3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine

C12H8ClF2N5 — CID 139343891

IUPAC3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine
SMILESCC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1
InChIInChI=1S/C12H8ClF2N5/c1-12(14,15)8-6-20-7(4-18-10(20)5-17-8)11-16-3-2-9(13)19-11/h2-6H,1H3
InChIKeyMJANEMPLIORCCF-UHFFFAOYSA-N
MW295.68 g/mol
LogP2.95
Rot. Bonds2

About 3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine

3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine (PubChem CID 139343891) has the molecular formula C12H8ClF2N5 and a molecular weight of 295.68 g/mol. Its IUPAC name is 3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine
PubChem CID139343891
Molecular FormulaC12H8ClF2N5
Molecular Weight295.68 g/mol
Exact Mass295.04
IUPAC Name3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine
SMILESCC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1
InChIInChI=1S/C12H8ClF2N5/c1-12(14,15)8-6-20-7(4-18-10(20)5-17-8)11-16-3-2-9(13)19-11/h2-6H,1H3
InChIKeyMJANEMPLIORCCF-UHFFFAOYSA-N
XLogP2.95
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.68
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine (CID 139343891) is 3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine is CC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1.
What is the InChIKey of 3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine?
The InChIKey is MJANEMPLIORCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF2N5/c1-12(14,15)8-6-20-7(4-18-10(20)5-17-8)11-16-3-2-9(13)19-11/h2-6H,1H3.
What are the key properties of 3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine?
3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine has a molecular weight of 295.68 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).