Losmapimod

C₂₂H₂₆FN₃O₂CAS 585543-15-3383.47 g/mol

Open in Covalent MOL file

Aryl halide

Properties

Molecular formula: C₂₂H₂₆FN₃O₂
Molar mass: 383.47 g/mol
Exact mass: 383.2009 Da
logP: 5.01Crippen estimate
Polar surface area: 78.1 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Hazards

Warning

H361 Suspected of damaging fertility or the unborn child100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P280, P318, P405, P501

Identifiers

CAS number

585543-15-3

SMILES

Cc1c(F)cc(C(O)=NC2CC2)cc1-c1ccc(C(O)=NCC(C)(C)C)cn1

InChIKey

KKYABQBFGDZVNQ-UHFFFAOYSA-N

InChI

InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)

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Names and synonyms

7 names

3-Pyridinecarboxamide, 6-[5-[(cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)-
6-[5-[(Cyclopropylamino)carbonyl]-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)-3-pyridinecarboxamide
6-[5-(Cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)nicotinamide
GW 856553X
GSK-AHAB
SB 856553
GW 856553

Work with Losmapimod

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

PubChem CAS Common Chemistry NIST WebBook