Ly2090314

C₂₈H₂₅FN₆O₃CAS 603288-22-8512.55 g/mol

Open in Covalent MOL file

Alkene Amide Aryl halide Lactam Urea

Properties

Molecular formula: C₂₈H₂₅FN₆O₃
Molar mass: 512.55 g/mol
Exact mass: 512.1972 Da
logP: 3.42Crippen estimate
Polar surface area: 92.0 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

603288-22-8

SMILES

C1CCN(CC1)C(=O)N2CCN3C=C(C4=CC(=CC(=C43)C2)F)C5=C(C(=O)NC5=O)C6=CN=C7N6C=CC=C7

InChIKey

HRJWTAWVFDCTGO-UHFFFAOYSA-N

InChI

InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)

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Work with Ly2090314

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Elsewhere

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