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Home > Fluorides > 864864-17-5
864864-17-5 | 2-cyclopropyl-5-[1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CAS No: 864864-17-5 Catalog No: AG003923 MDL No:
Product Description
Catalog Number:
AG003923
Chemical Name:
2-cyclopropyl-5-[1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-triazol-4-yl]-2,3-dihydro-1H-isoindol-1-one
CAS Number:
864864-17-5
Molecular Formula:
C19H16FN5O
Molecular Weight:
349.3616
IUPAC Name:
2-cyclopropyl-5-[1-(2-fluoropyridin-3-yl)-5-methyltriazol-4-yl]-3H-isoindol-1-one
InChI:
InChI=1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3
InChI Key:
XZBFQWRAIYRPPZ-UHFFFAOYSA-N
SMILES:
O=C1N(Cc2c1ccc(c2)c1nnn(c1C)c1cccnc1F)C1CC1
Properties
Complexity:
558
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.134g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.369g/mol
Monoisotopic Mass:
349.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Pharmacological effects of metabotropic glutamate receptor ligands on prepulse inhibition in DBA/2J mice. | European journal of pharmacology 20100810 |
| Effect of CFMTI, an allosteric metabotropic glutamate receptor 1 antagonist with antipsychotic activity, on Fos expression in regions of the brain related to schizophrenia. | Neuroscience 20100714 |
| Discovery and biological profile of isoindolinone derivatives as novel metabotropic glutamate receptor 1 antagonists: a potential treatment for psychotic disorders. | Bioorganic & medicinal chemistry letters 20090915 |
| Unique antipsychotic activities of the selective metabotropic glutamate receptor 1 allosteric antagonist 2-cyclopropyl-5-[1-(2-fluoro-3-pyridinyl)-5-methyl-1H-1,2,3-triazol-4-yl]-2,3-dihydro-1H-isoindol-1-one. | The Journal of pharmacology and experimental therapeutics 20090701 |
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