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CFMTI 10mg

CAT: 0628-A20567-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A20567-10Size:10 mg
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CAS Number
864864-17-5

Chemical Information

2-cyclopropyl-5-(1-(2-fluoro-3-pyridinyl)-5-methyl-1H-1,2,3-triazol-4-yl)-2,3-dihydro-1H-isoindol-1-one

a glutamate receptor antagonist; structure in first source

CAS Number864864-17-5
PubChem CID11175501
IUPAC Name2-cyclopropyl-5-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one
Molecular FormulaC19H16FN5O
Molecular Weight349.4
XLogP2.4
Topological Polar Surface Area63.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity558
SMILES
CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CC4=C(C=C3)C(=O)N(C4)C5CC5
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
InChIKey
XZBFQWRAIYRPPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-cyclopropyl-5-(1-(2-fluoro-3-pyridinyl)-5-methyl-1H-1,2,3-triazol-4-yl)-2,3-dihydro-1H-isoindol-1-one
CAS: 864864-17-5
CID: 11175501
Formula: C19H16FN5O
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass349.13388831
Monoisotopic Mass349.13388831
Topological Polar Surface Area63.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity558
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes