Flupranone

CAT: 0926-WAA68610-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0926-WAA68610-01Size:5 mg

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CAS Number

21686-10-2

Smiles

CC1=C (C=NN1CCO) C (=O) CCN2CCC (=CC2) C3=CC=C (C=C3) F

Molecular Formula

C20H24FN3O2

Molecular Weight

357.4 g/mol

Controlled

Chemical Information

3-(4-(p-Fluorophenyl)-1,2,3,6-tetrahydro-1-pyridyl)-1-(1-(2-hydroxyethyl)-5-methyl-4-pyrazolyl)-1-propanone

Flupranone is a small molecule drug. Flupranone has a monoisotopic molecular weight of 357.19 Da.

CAS Number	21686-10-2
PubChem CID	219067
IUPAC Name	3-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[1-(2-hydroxyethyl)-5-methylpyrazol-4-yl]propan-1-one
Molecular Formula	C20H24FN3O2
Molecular Weight	357.4
XLogP	1.5
Topological Polar Surface Area	58.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	26
Formal Charge	0
Complexity	505

SMILES

CC1=C(C=NN1CCO)C(=O)CCN2CCC(=CC2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H24FN3O2/c1-15-19(14-22-24(15)12-13-25)20(26)8-11-23-9-6-17(7-10-23)16-2-4-18(21)5-3-16/h2-6,14,25H,7-13H2,1H3

InChIKey

MBAQRSKEYXLLNY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 21686-10-2

CID: 219067

Formula: C20H24FN3O2

MW: 357.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	357.4
XLogP3	1.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	357.18525518
Monoisotopic Mass	357.18525518
Topological Polar Surface Area	58.4 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	505
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
FF00182-01	9-Fluorenone
FF70341-01	9-Fluorenone hydrazone
FF70110-01	9-Fluorenone oxime
FC65872-01	3-Chloro-9-fluorenone
FA62363-01	2-Amino-9-fluorenone
FA30922-01	1-Amino-9-fluorenone
FF23338-01	9-Fluorenone-2-carboxylic acid
FD70414-01	2,7-Dihydroxy-9-fluorenone
FF66535-01	Fluorenone-2,7-dicarboxylic acid
FF62380	9-Fluorenone-1-carboxylic Acid

Catalog	Name
HY-128546	Flupranone