Mardepodect 25mg

CAT: 0628-A20641-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A20641-25Size:25 mg

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CAS Number

898562-94-2

Chemical Information

2-((4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy)methyl)quinoline

a phosphodiesterase inhibitor

CAS Number	898562-94-2
PubChem CID	11581936
IUPAC Name	2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
Molecular Formula	C25H20N4O
Molecular Weight	392.5
XLogP	4.2
Topological Polar Surface Area	52.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	531

SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C5=CC=NC=C5

InChI

InChI=1S/C25H20N4O/c1-29-16-23(18-12-14-26-15-13-18)25(28-29)20-7-10-22(11-8-20)30-17-21-9-6-19-4-2-3-5-24(19)27-21/h2-16H,17H2,1H3

InChIKey

AZEXWHKOMMASPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 898562-94-2

CID: 11581936

Formula: C25H20N4O

MW: 392.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	392.5
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	392.16371127
Monoisotopic Mass	392.16371127
Topological Polar Surface Area	52.8 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	531
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBS3845083-01	Mardepodect
462479	Mardepodect HCl
T62356-01	Mardepodect hydrochloride
HY-50098A-01	Mardepodect (hydrochloride)
HY-10030	Mardepodect (succinate)
HY-50098R-01	Mardepodect (Standard)
C17002-10mg	Mardepodect (PF-2545920)
HY-50098AR-01	Mardepodect (hydrochloride) (Standard)