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151831-21-9 | Methyl pyrazolo[1,5-a]pyridine-2-carboxylate
CAS No: 151831-21-9 Catalog No: AG003S2G MDL No:MFCD07367039
Product Description
Catalog Number:
AG003S2G
Chemical Name:
Methyl pyrazolo[1,5-a]pyridine-2-carboxylate
CAS Number:
151831-21-9
Molecular Formula:
C9H8N2O2
Molecular Weight:
176.1720
MDL Number:
MFCD07367039
IUPAC Name:
methyl pyrazolo[1,5-a]pyridine-2-carboxylate
InChI:
InChI=1S/C9H8N2O2/c1-13-9(12)8-6-7-4-2-3-5-11(7)10-8/h2-6H,1H3
InChI Key:
COIDYSXDRKQDJA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2n(n1)cccc2
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.175g/mol
Monoisotopic Mass:
176.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| A novel inhibitor of human La protein with anti-HBV activity discovered by structure-based virtual screening and in vitro evaluation. | PloS one 20120101 |
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