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

C16H8F5N3O — CID 134560299

IUPAC3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(C(F)F)n2cc(-c3ccc(OC(F)(F)F)cc3)ccc12
InChIInChI=1S/C16H8F5N3O/c17-14(18)15-23-12(7-22)13-6-3-10(8-24(13)15)9-1-4-11(5-2-9)25-16(19,20)21/h1-6,8,14H
InChIKeyYGDWQIHGYZADAF-UHFFFAOYSA-N
MW353.25 g/mol
LogP4.71
Rot. Bonds3

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

3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile (PubChem CID 134560299) has the molecular formula C16H8F5N3O and a molecular weight of 353.25 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
PubChem CID134560299
Molecular FormulaC16H8F5N3O
Molecular Weight353.25 g/mol
Exact Mass353.06
IUPAC Name3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
SMILESN#Cc1nc(C(F)F)n2cc(-c3ccc(OC(F)(F)F)cc3)ccc12
InChIInChI=1S/C16H8F5N3O/c17-14(18)15-23-12(7-22)13-6-3-10(8-24(13)15)9-1-4-11(5-2-9)25-16(19,20)21/h1-6,8,14H
InChIKeyYGDWQIHGYZADAF-UHFFFAOYSA-N
XLogP4.71
TPSA50.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.25
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-fluoroethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile
CID 157183481
6-[4-(1-fluoro-1-phosphanylethoxy)phenyl]-3-(1-phosphanylethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 170265968
6-[4-[bis(phosphanyl)methoxy]phenyl]-3-(1-fluoroethyl)imidazo[1,5-a]pyridine-1-carbonitrile
CID 170265555
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-bromo-5-[4-(trifluoromethoxy)phenyl]benzonitrile
CID 162396131
6-[4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 150542588
2-[3,6-bis[4-(trifluoromethoxy)phenyl]-2-pyridinyl]acetonitrile
CID 133094083
5-[2-[4-(trifluoromethoxy)phenyl]-1,3-thiazol-5-yl]-2H-triazole-4-carbonitrile
CID 122478369
2-[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetic acid
CID 66849645
[6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-yl] acetate
CID 123196877

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile (CID 134560299) is 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile is N#Cc1nc(C(F)F)n2cc(-c3ccc(OC(F)(F)F)cc3)ccc12.
What is the InChIKey of 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile?
The InChIKey is YGDWQIHGYZADAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F5N3O/c17-14(18)15-23-12(7-22)13-6-3-10(8-24(13)15)9-1-4-11(5-2-9)25-16(19,20)21/h1-6,8,14H.
What are the key properties of 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile?
3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile has a molecular weight of 353.25 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 3-(difluoromethyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile is sourced from PubChem (CID 134560299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).