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CPI-455 analogue

CAT: 0931-T3576-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T3576-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2309755-73-3
Target
Others
Related Pathways
Others
Purity
0.9813
Bioactivity
CPI-455 analogue (CPI-455 analogue) is an analogue of CPI-455 which is a KDM5 inhibitor.
Smiles
CCCc1c(nc2c(c[nH]n2c1=O)C#N)-c1ccccc1
Molecular Formula
C16H14N4O
Molecular Weight
278.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-Oxo-5-phenyl-6-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CAS Number2309755-73-3
PubChem CID129317929
IUPAC Name7-oxo-5-phenyl-6-propyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
Molecular FormulaC16H14N4O
Molecular Weight278.31
XLogP2.6
Topological Polar Surface Area68.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity599
SMILES
CCCC1=C(N=C2C(=CNN2C1=O)C#N)C3=CC=CC=C3
InChI
InChI=1S/C16H14N4O/c1-2-6-13-14(11-7-4-3-5-8-11)19-15-12(9-17)10-18-20(15)16(13)21/h3-5,7-8,10,18H,2,6H2,1H3
InChIKey
GDYICSDRFQBRDX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Oxo-5-phenyl-6-propyl-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CAS: 2309755-73-3
CID: 129317929
Formula: C16H14N4O
MW: 278.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight278.31
XLogP32.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass278.11676108
Monoisotopic Mass278.11676108
Topological Polar Surface Area68.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity599
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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Alternative Products

CatalogName
GTR19172122-01CPI-455 analogue
GTR19153882-01CPI-455 analogue (KDM5 inhibitor)
DQC20823-01CPI-455
MBS3841459-01CPI 455

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