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Home > Pyridines > 113696-38-1
113696-38-1 | 3H-Pyrazolo[3,4-b]pyridin-3-one, 2,7-dihydro-4,6-dimethyl-2,7-diphenyl-
CAS No: 113696-38-1 Catalog No: AG0009C7 MDL No:MFCD00098989
Product Description
Catalog Number:
AG0009C7
Chemical Name:
3H-Pyrazolo[3,4-b]pyridin-3-one, 2,7-dihydro-4,6-dimethyl-2,7-diphenyl-
CAS Number:
113696-38-1
Molecular Formula:
C20H17N3O
Molecular Weight:
315.3685
MDL Number:
MFCD00098989
IUPAC Name:
4,6-dimethyl-2,7-diphenylpyrazolo[3,4-b]pyridin-3-one
InChI:
InChI=1S/C20H17N3O/c1-14-13-15(2)22(16-9-5-3-6-10-16)19-18(14)20(24)23(21-19)17-11-7-4-8-12-17/h3-13H,1-2H3
InChI Key:
LUIUYGXMWCAILW-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c2c(n1c1ccccc1)nn(c2=O)c1ccccc1
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.137g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.376g/mol
Monoisotopic Mass:
315.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
35.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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