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Home > Pyridines > 113854-22-1
113854-22-1 | 1H-Pyrazolo[3,4-b]pyridine, 4,5-dihydro-3-methyl-1,4,6-triphenyl-
CAS No: 113854-22-1 Catalog No: AG0009XQ MDL No:
Product Description
Catalog Number:
AG0009XQ
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine, 4,5-dihydro-3-methyl-1,4,6-triphenyl-
CAS Number:
113854-22-1
Molecular Formula:
C25H21N3
Molecular Weight:
363.4543
IUPAC Name:
3-methyl-1,4,6-triphenyl-4,5-dihydropyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C25H21N3/c1-18-24-22(19-11-5-2-6-12-19)17-23(20-13-7-3-8-14-20)26-25(24)28(27-18)21-15-9-4-10-16-21/h2-16,22H,17H2,1H3
InChI Key:
XPBVBTOUZJXGAB-UHFFFAOYSA-N
SMILES:
Cc1nn(c2c1C(CC(=N2)c1ccccc1)c1ccccc1)c1ccccc1
Properties
Complexity:
540
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.174g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.464g/mol
Monoisotopic Mass:
363.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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