3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile

C18H8F4N4S — CID 10134852

IUPAC3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile
SMILESN#Cc1sccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F
InChIInChI=1S/C18H8F4N4S/c19-13-2-1-10(7-12(13)11-4-6-27-15(11)8-23)14-9-24-17-25-16(18(20,21)22)3-5-26(14)17/h1-7,9H
InChIKeyZHJZFEOIZZMCQB-UHFFFAOYSA-N
MW388.35 g/mol
LogP5.15
Rot. Bonds2

About 3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile

3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile (PubChem CID 10134852) has the molecular formula C18H8F4N4S and a molecular weight of 388.35 g/mol. Its IUPAC name is 3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile
PubChem CID10134852
Molecular FormulaC18H8F4N4S
Molecular Weight388.35 g/mol
Exact Mass388.04
IUPAC Name3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile
SMILESN#Cc1sccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F
InChIInChI=1S/C18H8F4N4S/c19-13-2-1-10(7-12(13)11-4-6-27-15(11)8-23)14-9-24-17-25-16(18(20,21)22)3-5-26(14)17/h1-7,9H
InChIKeyZHJZFEOIZZMCQB-UHFFFAOYSA-N
XLogP5.15
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.35
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile?
The IUPAC name of 3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile (CID 10134852) is 3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile.
What is the SMILES notation for 3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile?
The canonical SMILES for 3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile is N#Cc1sccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccc1F.
What is the InChIKey of 3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile?
The InChIKey is ZHJZFEOIZZMCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H8F4N4S/c19-13-2-1-10(7-12(13)11-4-6-27-15(11)8-23)14-9-24-17-25-16(18(20,21)22)3-5-26(14)17/h1-7,9H.
What are the key properties of 3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile?
3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile has a molecular weight of 388.35 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-[7-(trifluoromethyl)imidazo[1,2-a]pyrimidin-3-yl]phenyl]thiophene-2-carbonitrile is sourced from PubChem (CID 10134852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).