chempirical

Gsk2982772

C20H19N5O3CAS 1622848-92-3377.40 g/mol

Open in Covalent MOL file
NOONHONHNN
AmideEtherLactam

Properties

Molecular formula
C20H19N5O3
Molar mass
377.40 g/mol
Exact mass
377.1488 Da
logP
1.55Crippen estimate
Polar surface area
100.2 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
4
Stereocentres
Sin SMILES atom order

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
1622848-92-3
SMILES
CN1C2=CC=CC=C2OC[C@@H](C1=O)NC(=O)C3=NNC(=N3)CC4=CC=CC=C4
InChIKey
LYPAFUINURXJSG-AWEZNQCLSA-N
InChI
InChI=1S/C20H19N5O3/c1-25-15-9-5-6-10-16(15)28-12-14(20(25)27)21-19(26)18-22-17(23-24-18)11-13-7-3-2-4-8-13/h2-10,14H,11-12H2,1H3,(H,21,26)(H,22,23,24)/t14-/m0/s1

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Work with Gsk2982772

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

Similar compounds

Benoxacor98730-04-233 % similar 3-Ethyl-1-methyl-1,3-dihydro-2H-indol-2-one2525-35-132 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook