JNJ-55308942

CAT: 0607-BA6849-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA6849-25Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

2166558-11-6

Form

A solid

Molecular Formula

C17H12F5N7O

Molecular Weight

425.32

Shipping Conditions

Blue ice

Storage Conditions

4°C, desiccated and protect from light.

Chemical Information

Zanvipixant

JNJ-55308942 is under investigation in clinical trial NCT05328297 (A Study of JNJ-55308942 in the Treatment of Bipolar Depression).

CAS Number	2166558-11-6
PubChem CID	90408860
IUPAC Name	[(6S)-1-(5-fluoropyrimidin-2-yl)-6-methyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]-[3-fluoro-2-(trifluoromethyl)-4-pyridinyl]methanone
Molecular Formula	C17H12F5N7O
Molecular Weight	425.3
XLogP	1.5
Topological Polar Surface Area	89.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	2
Heavy Atom Count	30
Formal Charge	0
Complexity	632

SMILES

C[C@H]1CC2=C(CN1C(=O)C3=C(C(=NC=C3)C(F)(F)F)F)N=NN2C4=NC=C(C=N4)F

InChI

InChI=1S/C17H12F5N7O/c1-8-4-12-11(26-27-29(12)16-24-5-9(18)6-25-16)7-28(8)15(30)10-2-3-23-14(13(10)19)17(20,21)22/h2-3,5-6,8H,4,7H2,1H3/t8-/m0/s1

InChIKey

LMDWZBQISRTEBH-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 2166558-11-6

CID: 90408860

Formula: C17H12F5N7O

MW: 425.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	425.3
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	2
Exact Mass	425.10234884
Monoisotopic Mass	425.10234884
Topological Polar Surface Area	89.7 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	632
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes