6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile

C16H9F5N4O — CID 158390338

IUPAC6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile
SMILESCC(F)(F)c1nc(C#N)c2ncc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C16H9F5N4O/c1-15(17,18)14-24-12(6-22)13-23-7-10(8-25(13)14)9-2-4-11(5-3-9)26-16(19,20)21/h2-5,7-8H,1H3
InChIKeyARIQMDLAAZYGIZ-UHFFFAOYSA-N
MW368.27 g/mol
LogP4.28
Rot. Bonds3

About 6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile

6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile (PubChem CID 158390338) has the molecular formula C16H9F5N4O and a molecular weight of 368.27 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile
PubChem CID158390338
Molecular FormulaC16H9F5N4O
Molecular Weight368.27 g/mol
Exact Mass368.07
IUPAC Name6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile
SMILESCC(F)(F)c1nc(C#N)c2ncc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C16H9F5N4O/c1-15(17,18)14-24-12(6-22)13-23-7-10(8-25(13)14)9-2-4-11(5-3-9)26-16(19,20)21/h2-5,7-8H,1H3
InChIKeyARIQMDLAAZYGIZ-UHFFFAOYSA-N
XLogP4.28
TPSA63.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.27
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile with MolForge

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

Launch Full Analysis

Related Compounds

3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 142362297
2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 142362621
3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 157183481
3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 134560299
3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine
CID 170266022
6-[4-(1-cyanocyclopropyl)phenyl]-3-(1,1-difluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 142362296
1-bromo-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
CID 142362262
2-[2-methoxy-5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetonitrile
CID 133094237
6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 170265968
2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 118455092
3-bromo-5-[4-(trifluoromethoxy)phenyl]benzonitrile
CID 162396131
4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 3676782

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile?
The IUPAC name of 6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile (CID 158390338) is 6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile.
What is the SMILES notation for 6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile?
The canonical SMILES for 6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile is CC(F)(F)c1nc(C#N)c2ncc(-c3ccc(OC(F)(F)F)cc3)cn12.
What is the InChIKey of 6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile?
The InChIKey is ARIQMDLAAZYGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F5N4O/c1-15(17,18)14-24-12(6-22)13-23-7-10(8-25(13)14)9-2-4-11(5-3-9)26-16(19,20)21/h2-5,7-8H,1H3.
What are the key properties of 6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile?
6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile has a molecular weight of 368.27 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile is sourced from PubChem (CID 158390338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).