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BUR1

CAT: 0127-BUP00921-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP00921-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
23000-46-6
Synonyms
BMP upregulator-1, BMP upregulator 1, BUR 1, BUR-1
Purity
=90%
Smiles
C1CCN(CC1)C1=NC=NC2=C1C=NN2C1=CC=CC=C1

Chemical Information

1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine
CAS Number23000-46-6
PubChem CID724753
IUPAC Name1-phenyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidine
Molecular FormulaC16H17N5
Molecular Weight279.34
XLogP3.1
Topological Polar Surface Area46.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count21
Formal Charge0
Complexity338
SMILES
C1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC=CC=C4
InChI
InChI=1S/C16H17N5/c1-3-7-13(8-4-1)21-16-14(11-19-21)15(17-12-18-16)20-9-5-2-6-10-20/h1,3-4,7-8,11-12H,2,5-6,9-10H2
InChIKey
AMRPAMSVFKIGHT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-{1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl}piperidine
CAS: 23000-46-6
CID: 724753
Formula: C16H17N5
MW: 279.34
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight279.34
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass279.14839556
Monoisotopic Mass279.14839556
Topological Polar Surface Area46.8 Ų
Heavy Atom Count21
Formal Charge0
Complexity338
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