3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile

C17H11F4N3O — CID 157183481

IUPAC3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(F)c1nc(C#N)c2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C17H11F4N3O/c1-10(18)16-23-14(8-22)15-7-4-12(9-24(15)16)11-2-5-13(6-3-11)25-17(19,20)21/h2-7,9-10H,1H3
InChIKeyPVFNAHATLJMQJS-UHFFFAOYSA-N
MW349.29 g/mol
LogP4.80
Rot. Bonds3

About 3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile

3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 157183481) has the molecular formula C17H11F4N3O and a molecular weight of 349.29 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID157183481
Molecular FormulaC17H11F4N3O
Molecular Weight349.29 g/mol
Exact Mass349.08
IUPAC Name3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
SMILESCC(F)c1nc(C#N)c2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C17H11F4N3O/c1-10(18)16-23-14(8-22)15-7-4-12(9-24(15)16)11-2-5-13(6-3-11)25-17(19,20)21/h2-7,9-10H,1H3
InChIKeyPVFNAHATLJMQJS-UHFFFAOYSA-N
XLogP4.80
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 134560299
6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 170265555
6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 170265968
6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile
CID 158390338
3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 142362297
3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine
CID 170266022
3-propan-2-yl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 66849121
3-bromo-5-[4-(trifluoromethoxy)phenyl]benzonitrile
CID 162396131
2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 142362621
6-[4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 150542588
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 158123234

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile (CID 157183481) is 3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile is CC(F)c1nc(C#N)c2ccc(-c3ccc(OC(F)(F)F)cc3)cn12.
What is the InChIKey of 3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is PVFNAHATLJMQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F4N3O/c1-10(18)16-23-14(8-22)15-7-4-12(9-24(15)16)11-2-5-13(6-3-11)25-17(19,20)21/h2-7,9-10H,1H3.
What are the key properties of 3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile?
3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 349.29 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 157183481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).