chempirical

Avl-292

C22H22FN5O3CAS 1202757-89-8423.45 g/mol

Open in Covalent MOL file
OONHNNNHNHOF
AlkeneAmideAryl halideEtherSecondary amine

Properties

Molecular formula
C22H22FN5O3
Molar mass
423.45 g/mol
Exact mass
423.1707 Da
logP
4.25Crippen estimate
Polar surface area
97.4 Ų
H-bond donors / acceptors
3 / 7
Rotatable bonds
10

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
1202757-89-8
SMILES
COCCOC1=CC=C(C=C1)NC2=NC=C(C(=N2)NC3=CC(=CC=C3)NC(=O)C=C)F
InChIKey
KXBDTLQSDKGAEB-UHFFFAOYSA-N
InChI
InChI=1S/C22H22FN5O3/c1-3-20(29)25-16-5-4-6-17(13-16)26-21-19(23)14-24-22(28-21)27-15-7-9-18(10-8-15)31-12-11-30-2/h3-10,13-14H,1,11-12H2,2H3,(H,25,29)(H2,24,26,27,28)

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Names and synonyms

1 names
  • Spebrutinib

Work with Avl-292

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

Wz31461214265-56-145 % similar Rociletinib1374640-70-644 % similar Wz40021213269-23-838 % similar (M-Acrylamidophenyl)boronic acid99349-68-533 % similar R406841290-81-133 % similar Blu 99311538604-68-032 % similar Erlotinib183321-74-630 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook