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ML230

CAT: 0013-GTR19204423-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204423-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML230
CAS Number
1776055-05-0
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
O=C (N1CCN (CC1) c1cc (nc2cc (nn12) -c1ccccc1) -c1ccco1) c1ccoc1
Molecular Formula
C25H21N5O3
Molecular Weight
439.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-Furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone

3-furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone is a N-arylpiperazine.

CAS Number1776055-05-0
PubChem CID44640177
IUPAC Namefuran-3-yl-[4-[5-(furan-2-yl)-2-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]methanone
Molecular FormulaC25H21N5O3
Molecular Weight439.5
XLogP3.2
Topological Polar Surface Area80
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity681
SMILES
C1CN(CCN1C2=CC(=NC3=CC(=NN32)C4=CC=CC=C4)C5=CC=CO5)C(=O)C6=COC=C6
InChI
InChI=1S/C25H21N5O3/c31-25(19-8-14-32-17-19)29-11-9-28(10-12-29)24-16-21(22-7-4-13-33-22)26-23-15-20(27-30(23)24)18-5-2-1-3-6-18/h1-8,13-17H,9-12H2
InChIKey
LRPGMVPQQLBMNE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Furanyl-[4-[5-(2-furanyl)-2-phenyl-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]methanone
CAS: 1776055-05-0
CID: 44640177
Formula: C25H21N5O3
MW: 439.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight439.5
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass439.16443955
Monoisotopic Mass439.16443955
Topological Polar Surface Area80 Ų
Heavy Atom Count33
Formal Charge0
Complexity681
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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