Depiperazine-DM3189

CAT: 0127-BUP22529-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP22529-01Size:1 mg

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

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CAS Number

1062368-55-1

Purity

≥98%

Smiles

N=1C=CC (C=2C=NN3C=C (C=NC23) C=4C=CC=CC4) =C5C=CC=CC15

Chemical Information

4-(6-Phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline

CAS Number	1062368-55-1
PubChem CID	44223354
IUPAC Name	4-(6-phenylpyrazolo[1,5-a]pyrimidin-3-yl)quinoline
Molecular Formula	C21H14N4
Molecular Weight	322.4
XLogP	3.8
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	25
Formal Charge	0
Complexity	449

SMILES

C1=CC=C(C=C1)C2=CN3C(=C(C=N3)C4=CC=NC5=CC=CC=C45)N=C2

InChI

InChI=1S/C21H14N4/c1-2-6-15(7-3-1)16-12-23-21-19(13-24-25(21)14-16)17-10-11-22-20-9-5-4-8-18(17)20/h1-14H

InChIKey

QBSQJJUIEKBBLE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1062368-55-1

CID: 44223354

Formula: C21H14N4

MW: 322.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	322.4
XLogP3	3.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	322.121846464
Monoisotopic Mass	322.121846464
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	449
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
GTR19258871-01	Depiperazine-DM3189