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

C22H15F5N2O — CID 170266022

IUPAC3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine
SMILESCC(F)(F)c1nc(-c2ccccc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C22H15F5N2O/c1-21(23,24)20-28-19(15-5-3-2-4-6-15)18-12-9-16(13-29(18)20)14-7-10-17(11-8-14)30-22(25,26)27/h2-13H,1H3
InChIKeyUOCXQVKKRWXQOI-UHFFFAOYSA-N
MW418.37 g/mol
LogP6.68
Rot. Bonds4

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

3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine (PubChem CID 170266022) has the molecular formula C22H15F5N2O and a molecular weight of 418.37 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine
PubChem CID170266022
Molecular FormulaC22H15F5N2O
Molecular Weight418.37 g/mol
Exact Mass418.11
IUPAC Name3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine
SMILESCC(F)(F)c1nc(-c2ccccc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cn12
InChIInChI=1S/C22H15F5N2O/c1-21(23,24)20-28-19(15-5-3-2-4-6-15)18-12-9-16(13-29(18)20)14-7-10-17(11-8-14)30-22(25,26)27/h2-13H,1H3
InChIKeyUOCXQVKKRWXQOI-UHFFFAOYSA-N
XLogP6.68
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.37
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[3,5-bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-4,5,6-triphenylpyrimidine
CID 155140916
6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile
CID 158390338
3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 66849312
1,1-difluoro-2-methyl-1-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-2-ol
CID 50908538
3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 142362297
3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 157183481
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173
3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 134560299
9-phenyl-10-[4-(trifluoromethoxy)phenyl]anthracene
CID 170391358
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
6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 66849611

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine (CID 170266022) is 3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine is CC(F)(F)c1nc(-c2ccccc2)c2ccc(-c3ccc(OC(F)(F)F)cc3)cn12.
What is the InChIKey of 3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine?
The InChIKey is UOCXQVKKRWXQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F5N2O/c1-21(23,24)20-28-19(15-5-3-2-4-6-15)18-12-9-16(13-29(18)20)14-7-10-17(11-8-14)30-22(25,26)27/h2-13H,1H3.
What are the key properties of 3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine?
3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine has a molecular weight of 418.37 g/mol, XLogP of 6.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-1-phenyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 170266022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).