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174842-36-5 | 1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-(3,5-dichlorophenoxy)-1,3-dimethyl-, ethyl ester
CAS No: 174842-36-5 Catalog No: AG00200D MDL No:MFCD00067966
Product Description
Catalog Number:
AG00200D
Chemical Name:
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 4-(3,5-dichlorophenoxy)-1,3-dimethyl-, ethyl ester
CAS Number:
174842-36-5
Molecular Formula:
C17H15Cl2N3O3
Molecular Weight:
380.2253
MDL Number:
MFCD00067966
IUPAC Name:
ethyl 4-(3,5-dichlorophenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
InChI:
InChI=1S/C17H15Cl2N3O3/c1-4-24-17(23)13-8-20-16-14(9(2)21-22(16)3)15(13)25-12-6-10(18)5-11(19)7-12/h5-8H,4H2,1-3H3
InChI Key:
UQDOPEKUDWZNMX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Oc1cc(Cl)cc(c1)Cl)c(C)nn2C
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.049g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.225g/mol
Monoisotopic Mass:
379.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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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