3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C18H9F5N4 — CID 10134100

IUPAC3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cnc3nc(C(F)(F)F)ccn23)c(F)c1-c1cccnc1
InChIInChI=1S/C18H9F5N4/c19-12-4-3-11(16(20)15(12)10-2-1-6-24-8-10)13-9-25-17-26-14(18(21,22)23)5-7-27(13)17/h1-9H
InChIKeyBJYFIXNUQKPNCK-UHFFFAOYSA-N
MW376.29 g/mol
LogP4.76
Rot. Bonds2

About 3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 10134100) has the molecular formula C18H9F5N4 and a molecular weight of 376.29 g/mol. Its IUPAC name is 3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID10134100
Molecular FormulaC18H9F5N4
Molecular Weight376.29 g/mol
Exact Mass376.07
IUPAC Name3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESFc1ccc(-c2cnc3nc(C(F)(F)F)ccn23)c(F)c1-c1cccnc1
InChIInChI=1S/C18H9F5N4/c19-12-4-3-11(16(20)15(12)10-2-1-6-24-8-10)13-9-25-17-26-14(18(21,22)23)5-7-27(13)17/h1-9H
InChIKeyBJYFIXNUQKPNCK-UHFFFAOYSA-N
XLogP4.76
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2,6-difluoro-3-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10294391
3-[4-fluoro-3-(3-fluoro-2-pyridinyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10199517
3-(4-fluoro-3-pyridazin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10133066
3-fluoro-2-pyridin-3-yl-6-(trifluoromethyl)pyridine
CID 46315838
3-[4-fluoro-3-(2-methylsulfonylphenyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10160106
4-fluoro-2-[6-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]-2-pyridinyl]benzonitrile
CID 10134544
3-pyridin-3-yl-6-(trifluoromethyl)pyridine-2-carbaldehyde
CID 131870493
2-[3-[4-fluoro-3-(1-oxidopyridin-1-ium-3-yl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol
CID 10270127
3-[4-fluoro-2-(trifluoromethyl)phenyl]pyridine
CID 46317075
2,6-difluoro-3-pyridin-3-ylbenzonitrile
CID 58731401
3-(4-bromo-3,5-difluorophenyl)pyridine
CID 164533968
3-[3,5-bis(trifluoromethyl)phenyl]pyridine
CID 46315288

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 10134100) is 3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is Fc1ccc(-c2cnc3nc(C(F)(F)F)ccn23)c(F)c1-c1cccnc1.
What is the InChIKey of 3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is BJYFIXNUQKPNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9F5N4/c19-12-4-3-11(16(20)15(12)10-2-1-6-24-8-10)13-9-25-17-26-14(18(21,22)23)5-7-27(13)17/h1-9H.
What are the key properties of 3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 376.29 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 10134100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).