chempirical

Ldn193189

C25H22N6CAS 1062368-24-4406.49 g/mol

Open in Covalent MOL file
NNNNHNN
Secondary amineTertiary amine

Properties

Molecular formula
C25H22N6
Molar mass
406.49 g/mol
Exact mass
406.1906 Da
logP
4.02Crippen estimate
Polar surface area
58.4 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Identifiers

CAS number
1062368-24-4
SMILES
c1ccc2c(-c3cnn4cc(-c5ccc(N6CCNCC6)cc5)cnc34)ccnc2c1
InChIKey
CDOVNWNANFFLFJ-UHFFFAOYSA-N
InChI
InChI=1S/C25H22N6/c1-2-4-24-22(3-1)21(9-10-27-24)23-16-29-31-17-19(15-28-25(23)31)18-5-7-20(8-6-18)30-13-11-26-12-14-30/h1-10,15-17,26H,11-14H2

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Names and synonyms

4 names
  • Quinoline, 4-[6-[4-(1-piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]-
  • 4-[6-[4-(1-Piperazinyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
  • LDN 193189
  • DM 3189

Work with Ldn193189

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

Dorsomorphin866405-64-339 % similar Phenylpiperazine92-54-635 % similar 1-(3-Biphenylyl)piperazine115761-61-033 % similar 1-Phenylpiperazine hydrochloride2210-93-733 % similar Quipazine4774-24-732 % similar Pyridinylpiperazine34803-66-232 % similar 3-(1-Piperazinyl)-1,2-benzisothiazole87691-87-031 % similar 4-(1-Piperazinyl)benzonitrile68104-63-231 % similar

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

Elsewhere

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