Imaradenant

C15H11ClFN5CAS 1321514-06-0315.74 g/mol

Open in Covalent MOL file
NClNNNNH2F
Aryl halidePrimary amine

Properties

Molecular formula
C15H11ClFN5
Molar mass
315.74 g/mol
Exact mass
315.0687 Da
logP
3.28Crippen estimate
Polar surface area
77.6 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

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

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Identifiers

CAS number
1321514-06-0
SMILES
CC1=CC(=CC(=N1)Cl)C2=C(N=C(N=N2)N)C3=CC=C(C=C3)F
InChIKey
NCWQLHHDGDXIJN-UHFFFAOYSA-N
InChI
InChI=1S/C15H11ClFN5/c1-8-6-10(7-12(16)19-8)14-13(20-15(18)22-21-14)9-2-4-11(17)5-3-9/h2-7H,1H3,(H2,18,20,22)
Characterization data

Calculated from the structure, in the form journals print them.

[M + H]+
[M + H]+ Calcd for C15H12ClFN5 316.0760
[M + Na]+
[M + Na]+ Calcd for C15H11ClFN5Na 338.0579
[M − H]−
[M − H]− Calcd for C15H10ClFN5 314.0614
Elemental analysis
Anal. Calcd for C15H11ClFN5: C, 57.06; H, 3.51; N, 22.18.

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Names and synonyms

1 name
  • Azd4635

Work with Imaradenant

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

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Tanimoto similarity of circular fingerprints over the whole catalogue.

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Elsewhere

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