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

C19H13F3N4 — CID 10269530

IUPAC7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine
SMILESCC(F)(F)c1ccn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1
InChIInChI=1S/C19H13F3N4/c1-19(21,22)17-6-9-26-16(11-24-18(26)25-17)13-2-3-15(20)14(10-13)12-4-7-23-8-5-12/h2-11H,1H3
InChIKeyGXGASOWVXWORBL-UHFFFAOYSA-N
MW354.34 g/mol
LogP4.71
Rot. Bonds3

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

7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 10269530) has the molecular formula C19H13F3N4 and a molecular weight of 354.34 g/mol. Its IUPAC name is 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine
PubChem CID10269530
Molecular FormulaC19H13F3N4
Molecular Weight354.34 g/mol
Exact Mass354.11
IUPAC Name7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine
SMILESCC(F)(F)c1ccn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1
InChIInChI=1S/C19H13F3N4/c1-19(21,22)17-6-9-26-16(11-24-18(26)25-17)13-2-3-15(20)14(10-13)12-4-7-23-8-5-12/h2-11H,1H3
InChIKeyGXGASOWVXWORBL-UHFFFAOYSA-N
XLogP4.71
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.34
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10271229
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
5-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]-1H-pyridin-2-one
CID 10177390
3-[4-fluoro-3-(2-methylsulfonylphenyl)phenyl]-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10160106
2-[3-[4-fluoro-3-(1-oxidopyridin-1-ium-3-yl)phenyl]imidazo[1,2-a]pyrimidin-7-yl]propan-2-ol
CID 10270127
4-fluoro-2-[2-fluoro-5-[7-(2-hydroxypropan-2-yl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]benzonitrile
CID 10271677
3-(4-bromophenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 141396529
3-(2,4-difluoro-3-pyridin-3-ylphenyl)-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 10134100
2-[3-[3-(3,4-difluorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol
CID 11741690
2-[3-[3-(3,5-dichlorophenyl)-4-fluorophenyl]-8-fluoroimidazo[1,2-a]pyridin-7-yl]propan-2-ol
CID 11743574
7-(4-tert-butylphenyl)-3-pyridin-4-ylimidazo[1,2-a]pyridine
CID 53393117

Frequently Asked Questions

What is the IUPAC name of 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine (CID 10269530) is 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine is CC(F)(F)c1ccn2c(-c3ccc(F)c(-c4ccncc4)c3)cnc2n1.
What is the InChIKey of 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is GXGASOWVXWORBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4/c1-19(21,22)17-6-9-26-16(11-24-18(26)25-17)13-2-3-15(20)14(10-13)12-4-7-23-8-5-12/h2-11H,1H3.
What are the key properties of 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine?
7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 354.34 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,1-difluoroethyl)-3-(4-fluoro-3-pyridin-4-ylphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 10269530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).