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1361570-27-5

1361570-27-5 structural image
Product Name: methyl (4,6-diamino-2-(1-(2-fluorobenzyl)-1H-pyrazolo[3,4-b] pyridin-3-yl)pyrimidin-5-yl)(ethyl)carbamate
Formula: C21H21FN8O2
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COMPUTED DESCRIPTORS

Molecular Weight 436.4 g/mol
XLogP3 1.9
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 9
Rotatable Bond Count 6
Exact Mass 436.17715010 g/mol
Monoisotopic Mass 436.17715010 g/mol
Topological Polar Surface Area 138 Ų
Heavy Atom Count 32
Formal Charge 0
Complexity 633
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes