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482584-49-6 | 5-methyl-7-(2-methylpropyl)-2-[(naphthalen-1-yl)methyl]-3-(pyridin-4-yl)-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CAS No: 482584-49-6 Catalog No: AG01ANCQ MDL No:
Product Description
Catalog Number:
AG01ANCQ
Chemical Name:
5-methyl-7-(2-methylpropyl)-2-[(naphthalen-1-yl)methyl]-3-(pyridin-4-yl)-2H,4H,5H,6H,7H-pyrazolo[3,4-d]pyrimidine-4,6-dione
CAS Number:
482584-49-6
Molecular Formula:
C26H25N5O2
Molecular Weight:
439.5090
IUPAC Name:
5-methyl-7-(2-methylpropyl)-2-(naphthalen-1-ylmethyl)-3-pyridin-4-ylpyrazolo[3,4-d]pyrimidine-4,6-dione
InChI:
InChI=1S/C26H25N5O2/c1-17(2)15-30-24-22(25(32)29(3)26(30)33)23(19-11-13-27-14-12-19)31(28-24)16-20-9-6-8-18-7-4-5-10-21(18)20/h4-14,17H,15-16H2,1-3H3
InChI Key:
NNZDBCPMOOEFTE-UHFFFAOYSA-N
SMILES:
CC(Cn1c2nn(c(c2c(=O)n(c1=O)C)c1ccncc1)Cc1cccc2c1cccc2)C
Properties
Complexity:
724
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
439.201g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
439.519g/mol
Monoisotopic Mass:
439.201g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
71.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Design of inhibitors of Helicobacter pylori glutamate racemase as selective antibacterial agents: incorporation of imidazoles onto a core pyrazolopyrimidinedione scaffold to improve bioavailabilty. | Bioorganic & medicinal chemistry letters 20120901 |
| Exploitation of structural and regulatory diversity in glutamate racemases. | Nature 20070614 |
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