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PIK-294

CAT: 0127-BUP13295-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP13295-02Size:10 mg
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CAS Number
900185-02-6
Synonyms
PIK294
Purity
=95%
Smiles
Cc1ccccc1-n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc23)nc2cccc(C)c2c1=O

Chemical Information

Pik-294
CAS Number900185-02-6
PubChem CID24905149
IUPAC Name2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
Molecular FormulaC28H23N7O2
Molecular Weight489.5
XLogP4.2
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count37
Formal Charge0
Complexity869
SMILES
CC1=C2C(=CC=C1)N=C(N(C2=O)C3=CC=CC=C3C)CN4C5=NC=NC(=C5C(=N4)C6=CC(=CC=C6)O)N
InChI
InChI=1S/C28H23N7O2/c1-16-7-3-4-12-21(16)35-22(32-20-11-5-8-17(2)23(20)28(35)37)14-34-27-24(26(29)30-15-31-27)25(33-34)18-9-6-10-19(36)13-18/h3-13,15,36H,14H2,1-2H3,(H2,29,30,31)
InChIKey
WFSLJOPRIJSOJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pik-294
CAS: 900185-02-6
CID: 24905149
Formula: C28H23N7O2
MW: 489.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.5
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass489.19132300
Monoisotopic Mass489.19132300
Topological Polar Surface Area123 Ų
Heavy Atom Count37
Formal Charge0
Complexity869
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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