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JNJ-54175446 5mg

CAT: 0628-A18675-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A18675-5Size:5 mg
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CAS Number
1627902-21-9

Chemical Information

Jnj-54175446

JNJ-54175446 is under investigation in clinical trial NCT02933762 (A Study in Healthy Participants to Evaluate the Effect of JNJ-54175446 on Amyloid Biomarkers and Cytokine Profiles in Cerebrospinal Fluid and Plasma).

CAS Number1627902-21-9
PubChem CID90409366
IUPAC Name[2-chloro-3-(trifluoromethyl)phenyl]-[(4R)-1-(5-fluoropyrimidin-2-yl)-4-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methanone
Molecular FormulaC18H13ClF4N6O
Molecular Weight440.8
XLogP3
Topological Polar Surface Area76.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity634
SMILES
C[C@@H]1C2=C(CCN1C(=O)C3=C(C(=CC=C3)C(F)(F)F)Cl)N(N=N2)C4=NC=C(C=N4)F
InChI
InChI=1S/C18H13ClF4N6O/c1-9-15-13(29(27-26-15)17-24-7-10(20)8-25-17)5-6-28(9)16(30)11-3-2-4-12(14(11)19)18(21,22)23/h2-4,7-9H,5-6H2,1H3/t9-/m1/s1
InChIKey
CWFVVQFVGMFTBD-SECBINFHSA-N
Chemical Structure
2D Structure
2D structure of Jnj-54175446
CAS: 1627902-21-9
CID: 90409366
Formula: C18H13ClF4N6O
MW: 440.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.8
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count2
Exact Mass440.0775494
Monoisotopic Mass440.0775494
Topological Polar Surface Area76.8 Ų
Heavy Atom Count30
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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