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GNF7686

CAT: 0931-T24096-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T24096-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
442567-43-3
Target
Others, Cytochromes P450
Related Pathways
Others, Metabolism
Bioactivity
GNF7686 is a novel Trypanosoma cruzi inhibitor.
Smiles
OC=1N2C(C(C#N)=C(C)C1CC)=NC=3C2=CC=CC3
Molecular Formula
C15H13N3O
Molecular Weight
251.28
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-ethyl-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CAS Number442567-43-3
PubChem CID702048
IUPAC Name2-ethyl-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
Molecular FormulaC15H13N3O
Molecular Weight251.28
XLogP1.9
Topological Polar Surface Area56.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count19
Formal Charge0
Complexity549
SMILES
CCC1=C(C(=C2NC3=CC=CC=C3N2C1=O)C#N)C
InChI
InChI=1S/C15H13N3O/c1-3-10-9(2)11(8-16)14-17-12-6-4-5-7-13(12)18(14)15(10)19/h4-7,17H,3H2,1-2H3
InChIKey
VKGICQBHQLMRAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-ethyl-3-methyl-1-oxo-5H-pyrido[1,2-a]benzimidazole-4-carbonitrile
CAS: 442567-43-3
CID: 702048
Formula: C15H13N3O
MW: 251.28
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight251.28
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass251.105862047
Monoisotopic Mass251.105862047
Topological Polar Surface Area56.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity549
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

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