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LUF5981

CAT: 0931-T27862-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T27862-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
929641-63-4
Target
Adenosine Receptor, Others
Related Pathways
GPCR/G Protein, Others, Neuroscience
Bioactivity
LUF5981 is a selective agonist of human adenosine A1 receptor.
Smiles
C12=C(C=C(N=C1N=C(N2)C3CCCCC3)C4=CC=CC=C4)C5=CC=CC=C5
Molecular Formula
C24H23N3
Molecular Weight
353.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine
CAS Number929641-63-4
PubChem CID16109435
IUPAC Name2-cyclohexyl-5,7-diphenyl-1H-imidazo[4,5-b]pyridine
Molecular FormulaC24H23N3
Molecular Weight353.5
XLogP6.2
Topological Polar Surface Area41.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count27
Formal Charge0
Complexity462
SMILES
C1CCC(CC1)C2=NC3=C(N2)C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C24H23N3/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)25-24-22(20)26-23(27-24)19-14-8-3-9-15-19/h1-2,4-7,10-13,16,19H,3,8-9,14-15H2,(H,25,26,27)
InChIKey
DXBBMCIVYYJMJC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-cyclohexyl-5,7-di(phenyl)-1H-imidazo[4,5-b]pyridine
CAS: 929641-63-4
CID: 16109435
Formula: C24H23N3
MW: 353.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight353.5
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass353.189197746
Monoisotopic Mass353.189197746
Topological Polar Surface Area41.6 Ų
Heavy Atom Count27
Formal Charge0
Complexity462
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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