3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine

C17H11F5N2O — CID 134560300

IUPAC3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc3cnc(C4CC4(F)F)n3c2)cc1
InChIInChI=1S/C17H11F5N2O/c18-16(19)7-14(16)15-23-8-12-4-1-11(9-24(12)15)10-2-5-13(6-3-10)25-17(20,21)22/h1-6,8-9,14H,7H2
InChIKeyJJUWVXYAFZXWNR-UHFFFAOYSA-N
MW354.28 g/mol
LogP5.02
Rot. Bonds3

About 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine

3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine (PubChem CID 134560300) has the molecular formula C17H11F5N2O and a molecular weight of 354.28 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine
PubChem CID134560300
Molecular FormulaC17H11F5N2O
Molecular Weight354.28 g/mol
Exact Mass354.08
IUPAC Name3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine
SMILESFC(F)(F)Oc1ccc(-c2ccc3cnc(C4CC4(F)F)n3c2)cc1
InChIInChI=1S/C17H11F5N2O/c18-16(19)7-14(16)15-23-8-12-4-1-11(9-24(12)15)10-2-5-13(6-3-10)25-17(20,21)22/h1-6,8-9,14H,7H2
InChIKeyJJUWVXYAFZXWNR-UHFFFAOYSA-N
XLogP5.02
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.28
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,2-difluorocyclopropyl)-6-[4-[difluoro(iodo)methoxy]phenyl]imidazo[1,5-a]pyridine
CID 170266065
3-(2-fluoropropan-2-yl)-6-[4-(2-fluoropropan-2-yloxy)phenyl]imidazo[1,5-a]pyridine
CID 170266105
2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
CID 142362621
CID 174136647
CID 174136647
2-bromo-7-[4-(trifluoromethoxy)phenyl]pyrrolo[2,1-f][1,2,4]triazine
CID 172551718
2-piperidin-1-yl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 3537747
1-[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]piperazine;hydrochloride
CID 23133624
6-[4-(trifluoromethoxy)phenyl]-1-(trifluoromethyl)imidazo[1,5-a]pyridine
CID 150542588
2-(oxetan-3-ylmethyl)-5-[4-(trifluoromethoxy)phenyl]-1H-imidazole
CID 141415488
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
2-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 66633611
6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile
CID 158390338

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine?
The IUPAC name of 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine (CID 134560300) is 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine?
The canonical SMILES for 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine is FC(F)(F)Oc1ccc(-c2ccc3cnc(C4CC4(F)F)n3c2)cc1.
What is the InChIKey of 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine?
The InChIKey is JJUWVXYAFZXWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F5N2O/c18-16(19)7-14(16)15-23-8-12-4-1-11(9-24(12)15)10-2-5-13(6-3-10)25-17(20,21)22/h1-6,8-9,14H,7H2.
What are the key properties of 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine?
3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine has a molecular weight of 354.28 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine is sourced from PubChem (CID 134560300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).