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Home > Boronic Acids > 557112-47-7
557112-47-7 | Butanamide,N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-
CAS No: 557112-47-7 Catalog No: AG00I9XS MDL No:
Product Description
Catalog Number:
AG00I9XS
Chemical Name:
Butanamide,N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]-
CAS Number:
557112-47-7
IUPAC Name:
N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-pyrazolo[3,4-b]pyridin-3-yl]butanamide
InChI:
InChI=1S/C16H23BN4O3/c1-6-7-12(22)19-14-11-8-10(9-18-13(11)20-21-14)17-23-15(2,3)16(4,5)24-17/h8-9H,6-7H2,1-5H3,(H2,18,19,20,21,22)
InChI Key:
ZXYVYYGVHZWKGW-UHFFFAOYSA-N
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.186g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.195g/mol
Monoisotopic Mass:
330.186g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
89.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Pharmacophore modeling, quantitative structure-activity relationship analysis, and in silico screening reveal potent glycogen synthase kinase-3beta inhibitory activities for cimetidine, hydroxychloroquine, and gemifloxacin. | Journal of medicinal chemistry 20080410 |
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