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89572-55-4 | 1H-Pyrazolo[3,4-b]pyridine, 6-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-
CAS No: 89572-55-4 Catalog No: AG003XX6 MDL No:
Product Description
Catalog Number:
AG003XX6
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 6-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-
CAS Number:
89572-55-4
Molecular Formula:
C22H21N3
Molecular Weight:
327.4222
IUPAC Name:
6-(3,4-dimethylphenyl)-3-ethyl-4-phenyl-2H-pyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C22H21N3/c1-4-19-21-18(16-8-6-5-7-9-16)13-20(23-22(21)25-24-19)17-11-10-14(2)15(3)12-17/h5-13H,4H2,1-3H3,(H,23,24,25)
InChI Key:
YRMBEFWHJWQPTD-UHFFFAOYSA-N
SMILES:
CCc1n[nH]c2c1c(cc(n2)c1ccc(c(c1)C)C)c1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.174g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.431g/mol
Monoisotopic Mass:
327.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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