5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole

C15H11F3N4O — CID 75476895

IUPAC5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole
SMILESFc1cc(-c2noc(C3CCn4cncc4C3)n2)cc(F)c1F
InChIInChI=1S/C15H11F3N4O/c16-11-4-9(5-12(17)13(11)18)14-20-15(23-21-14)8-1-2-22-7-19-6-10(22)3-8/h4-8H,1-3H2
InChIKeyJGTUMRKVBTYUSX-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.08
Rot. Bonds2

About 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole

5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole (PubChem CID 75476895) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole
PubChem CID75476895
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole
SMILESFc1cc(-c2noc(C3CCn4cncc4C3)n2)cc(F)c1F
InChIInChI=1S/C15H11F3N4O/c16-11-4-9(5-12(17)13(11)18)14-20-15(23-21-14)8-1-2-22-7-19-6-10(22)3-8/h4-8H,1-3H2
InChIKeyJGTUMRKVBTYUSX-UHFFFAOYSA-N
XLogP3.08
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-(5-methyl-1,3-thiazol-2-yl)-5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-1,2,4-oxadiazole
CID 128599405
N-[3-[5-[(7S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl]-1,2,4-oxadiazol-3-yl]phenyl]cyclopropanecarboxamide
CID 97350755
5-[(2S)-piperidin-2-yl]-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole
CID 103832702
3-(6-methoxy-3-pyridinyl)-5-[(7R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1,2,4-oxadiazole
CID 99838236
1-[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 46096475
5-(3-tert-butyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 67300245
[4-[3-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 166456484
3-(3,4-difluorophenyl)-5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 94917701
3-[4-(methylsulfanylmethyl)phenyl]-5-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)-1,2,4-oxadiazole
CID 167791576
[4-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526044
3-(4-chloro-3-fluorophenyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 95733033
1-cyclopropyl-1-[3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 64667686

Frequently Asked Questions

What is the IUPAC name of 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole (CID 75476895) is 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole is Fc1cc(-c2noc(C3CCn4cncc4C3)n2)cc(F)c1F.
What is the InChIKey of 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole?
The InChIKey is JGTUMRKVBTYUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c16-11-4-9(5-12(17)13(11)18)14-20-15(23-21-14)8-1-2-22-7-19-6-10(22)3-8/h4-8H,1-3H2.
What are the key properties of 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole?
5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole has a molecular weight of 320.27 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-3-(3,4,5-trifluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 75476895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).