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174842-34-3 | 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-(4-methoxyphenoxy)-1,3-dimethyl-, ethyl ester
CAS No: 174842-34-3 Catalog No: AG001ZZ7 MDL No:MFCD00067964
Product Description
Catalog Number:
AG001ZZ7
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-(4-methoxyphenoxy)-1,3-dimethyl-, ethyl ester
CAS Number:
174842-34-3
Molecular Formula:
C18H19N3O4
Molecular Weight:
341.3612
MDL Number:
MFCD00067964
IUPAC Name:
ethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
InChI:
InChI=1S/C18H19N3O4/c1-5-24-18(22)14-10-19-17-15(11(2)20-21(17)3)16(14)25-13-8-6-12(23-4)7-9-13/h6-10H,5H2,1-4H3
InChI Key:
ZXFKIPRYQOGRCX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Oc1ccc(cc1)OC)c(C)nn2C
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.138g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
341.367g/mol
Monoisotopic Mass:
341.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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