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

C11H5ClF3N5 — CID 139343508

IUPAC3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1
InChIInChI=1S/C11H5ClF3N5/c12-8-1-2-16-10(19-8)6-3-18-9-4-17-7(5-20(6)9)11(13,14)15/h1-5H
InChIKeyYDTOUBBTKGCVNQ-UHFFFAOYSA-N
MW299.64 g/mol
LogP2.86
Rot. Bonds1

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

3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139343508) has the molecular formula C11H5ClF3N5 and a molecular weight of 299.64 g/mol. Its IUPAC name is 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139343508
Molecular FormulaC11H5ClF3N5
Molecular Weight299.64 g/mol
Exact Mass299.02
IUPAC Name3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESFC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1
InChIInChI=1S/C11H5ClF3N5/c12-8-1-2-16-10(19-8)6-3-18-9-4-17-7(5-20(6)9)11(13,14)15/h1-5H
InChIKeyYDTOUBBTKGCVNQ-UHFFFAOYSA-N
XLogP2.86
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.64
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloropyrimidin-2-yl)-6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazine
CID 139343891
3-[4-(4-methylpiperazin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358816
1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperidin-4-ol
CID 139358662
1-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 139357653
2-[4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 139358652
3-(4-chloropyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 139344776
3-[4-[3-(methylsulfanylmethyl)pyrrolidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343812
3-[4-[3-(2-chloro-1H-imidazol-5-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139358770
3-[4-[3-(5-chloro-1H-pyrazol-4-yl)-5-methylpiperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139343602
3-[4-(3-pyrimidin-2-ylpiperidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 139357815
2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylic acid
CID 139343919
2-pyridin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]morpholine
CID 139359763

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139343508) is 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is FC(F)(F)c1cn2c(-c3nccc(Cl)n3)cnc2cn1.
What is the InChIKey of 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is YDTOUBBTKGCVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3N5/c12-8-1-2-16-10(19-8)6-3-18-9-4-17-7(5-20(6)9)11(13,14)15/h1-5H.
What are the key properties of 3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(4-chloropyrimidin-2-yl)-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 299.64 g/mol, XLogP of 2.86, 1 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-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).