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PF-4800567

CAT: 0127-BUP10376-06Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10376-06Size:200 mg
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CAS Number
1188296-52-7
Purity
=98%
Smiles
Nc1ncnc2n(nc(COc3cccc(Cl)c3)c12)C1CCOCC1

Chemical Information

3-((3-Chlorophenoxy)methyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine

PF-4800567 is a pyrazolopyrimidine that is 1H-pyrazolo[3,4-d]pyrimidin-4-amine which is substituted at positions 1 and 3 by tetrahydro-2H-pyran-4-yl and (m-chlorophenoxy)methyl groups, respectively. It is a selective inhibitor of the isoform of casein kinase 1 (CK1). It has a role as an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is an aromatic ether, a pyrazolopyrimidine, a member of oxanes and a member of monochlorobenzenes.

CAS Number1188296-52-7
PubChem CID53472153
IUPAC Name3-[(3-chlorophenoxy)methyl]-1-(oxan-4-yl)pyrazolo[3,4-d]pyrimidin-4-amine
Molecular FormulaC17H18ClN5O2
Molecular Weight359.8
XLogP2.3
Topological Polar Surface Area88.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count25
Formal Charge0
Complexity439
SMILES
C1COCCC1N2C3=NC=NC(=C3C(=N2)COC4=CC(=CC=C4)Cl)N
InChI
InChI=1S/C17H18ClN5O2/c18-11-2-1-3-13(8-11)25-9-14-15-16(19)20-10-21-17(15)23(22-14)12-4-6-24-7-5-12/h1-3,8,10,12H,4-7,9H2,(H2,19,20,21)
InChIKey
AUMDBEHGJRZSOO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-((3-Chlorophenoxy)methyl)-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CAS: 1188296-52-7
CID: 53472153
Formula: C17H18ClN5O2
MW: 359.8
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight359.8
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass359.1149025
Monoisotopic Mass359.1149025
Topological Polar Surface Area88.1 Ų
Heavy Atom Count25
Formal Charge0
Complexity439
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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