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833479-74-6 | 5H-Pyrazolo[3,4-c]isoquinolin-5-one, 2,4-dihydro-4-(4-methoxyphenyl)-
CAS No: 833479-74-6 Catalog No: AG008I3F MDL No:
Product Description
Catalog Number:
AG008I3F
Chemical Name:
5H-Pyrazolo[3,4-c]isoquinolin-5-one, 2,4-dihydro-4-(4-methoxyphenyl)-
CAS Number:
833479-74-6
Molecular Formula:
C17H13N3O2
Molecular Weight:
291.3040
IUPAC Name:
4-(4-methoxyphenyl)-3H-pyrazolo[3,4-c]isoquinolin-5-one
InChI:
InChI=1S/C17H13N3O2/c1-22-12-8-6-11(7-9-12)20-16-15(10-18-19-16)13-4-2-3-5-14(13)17(20)21/h2-10H,1H3,(H,18,19)
InChI Key:
VNMFKCOIRMWEAN-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1c(=O)c2ccccc2c2c1n[nH]c2
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.101g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.31g/mol
Monoisotopic Mass:
291.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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