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17326-30-6 | pyrazolo[3,4-d]pyrido[1,2-a]pyrimidin-4(1h)-one
CAS No: 17326-30-6 Catalog No: AG001YQQ MDL No:MFCD06136905
Product Description
Catalog Number:
AG001YQQ
Chemical Name:
pyrazolo[3,4-d]pyrido[1,2-a]pyrimidin-4(1h)-one
CAS Number:
17326-30-6
Molecular Formula:
C9H6N4O
Molecular Weight:
186.1701
MDL Number:
MFCD06136905
IUPAC Name:
1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
InChI:
InChI=1S/C9H6N4O/c14-9-6-5-10-12-8(6)11-7-3-1-2-4-13(7)9/h1-5H,(H,10,12)
InChI Key:
AKOCCXIPEFYLFG-UHFFFAOYSA-N
SMILES:
O=c1n2ccccc2nc2c1cn[nH]2
NSC Number:
110391
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.174g/mol
Monoisotopic Mass:
186.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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