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AZD-9819

CAT: 0127-BUP23583-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP23583-06Size:200 mg
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CAS Number
956907-23-6
Synonyms
AZD9819
Purity
≥98%
Smiles
N#CC1=CC=C (C=C1) N2N=CC=C2C=3N=C (C (=O) NCC) C (=O) N (C4=CC=CC (=C4) C (F) (F) F) C3C

Chemical Information

6-(1-(4-cyanophenyl)-1H-pyrazol-5-yl)-N-ethyl-5-methyl-3-oxo-4-(3-(trifluoromethyl)phenyl)-3,4-dihydropyrazine-2-carboxamide
CAS Number956907-23-6
PubChem CID24890141
IUPAC Name6-[2-(4-cyanophenyl)pyrazol-3-yl]-N-ethyl-5-methyl-3-oxo-4-[3-(trifluoromethyl)phenyl]pyrazine-2-carboxamide
Molecular FormulaC25H19F3N6O2
Molecular Weight492.5
XLogP4.3
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count36
Formal Charge0
Complexity976
SMILES
CCNC(=O)C1=NC(=C(N(C1=O)C2=CC=CC(=C2)C(F)(F)F)C)C3=CC=NN3C4=CC=C(C=C4)C#N
InChI
InChI=1S/C25H19F3N6O2/c1-3-30-23(35)22-24(36)33(19-6-4-5-17(13-19)25(26,27)28)15(2)21(32-22)20-11-12-31-34(20)18-9-7-16(14-29)8-10-18/h4-13H,3H2,1-2H3,(H,30,35)
InChIKey
ZRJDPTREGVHMGQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(1-(4-cyanophenyl)-1H-pyrazol-5-yl)-N-ethyl-5-methyl-3-oxo-4-(3-(trifluoromethyl)phenyl)-3,4-dihydropyrazine-2-carboxamide
CAS: 956907-23-6
CID: 24890141
Formula: C25H19F3N6O2
MW: 492.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.5
XLogP34.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass492.15215836
Monoisotopic Mass492.15215836
Topological Polar Surface Area103 Ų
Heavy Atom Count36
Formal Charge0
Complexity976
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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