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Home > Pyridines > 2093978-86-8
2093978-86-8 | 3-cyclobutyl-4-hydroxy-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CAS No: 2093978-86-8 Catalog No: AG019EOV MDL No:MFCD31555284
Product Description
Catalog Number:
AG019EOV
Chemical Name:
3-cyclobutyl-4-hydroxy-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CAS Number:
2093978-86-8
Molecular Formula:
C16H15N3O2
Molecular Weight:
281.3092
MDL Number:
MFCD31555284
IUPAC Name:
3-cyclobutyl-4-hydroxy-1-phenyl-7H-pyrazolo[3,4-b]pyridin-6-one
InChI:
InChI=1S/C16H15N3O2/c20-12-9-13(21)17-16-14(12)15(10-5-4-6-10)18-19(16)11-7-2-1-3-8-11/h1-3,7-10H,4-6H2,(H2,17,20,21)
InChI Key:
DILZMEIFLZCHKT-UHFFFAOYSA-N
SMILES:
O=c1cc(O)c2c([nH]1)n(nc2C1CCC1)c1ccccc1
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.315g/mol
Monoisotopic Mass:
281.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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