AGI-25696 50mg

CAT: 0628-A20250-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A20250-50Size:50 mg

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CAS Number

2201066-35-3

Chemical Information

2,3-Diphenyl-6-(quinolin-6-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one

CAS Number	2201066-35-3
PubChem CID	134307212
IUPAC Name	2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
Molecular Formula	C27H18N4O
Molecular Weight	414.5
XLogP	4.8
Topological Polar Surface Area	57.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	32
Formal Charge	0
Complexity	831

SMILES

C1=CC=C(C=C1)C2=C(NN3C2=NC=C(C3=O)C4=CC5=C(C=C4)N=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C27H18N4O/c32-27-22(20-13-14-23-21(16-20)12-7-15-28-23)17-29-26-24(18-8-3-1-4-9-18)25(30-31(26)27)19-10-5-2-6-11-19/h1-17,30H

InChIKey

VGWAPISXSPOLIQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2201066-35-3

CID: 134307212

Formula: C27H18N4O

MW: 414.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	414.5
XLogP3	4.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	414.14806121
Monoisotopic Mass	414.14806121
Topological Polar Surface Area	57.6 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	831
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