chempirical

Wz3146

C24H25ClN6O2CAS 1214265-56-1464.95 g/mol

Open in Covalent MOL file
NNNHNNONHOCl
AlkeneAmideAryl halideEtherSecondary amineTertiary amine

Properties

Molecular formula
C24H25ClN6O2
Molar mass
464.95 g/mol
Exact mass
464.1728 Da
logP
4.54Crippen estimate
Polar surface area
82.6 Ų
H-bond donors / acceptors
2 / 7
Rotatable bonds
7

Identifiers

CAS number
1214265-56-1
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl
InChIKey
APHGZZPEOCCYNO-UHFFFAOYSA-N
InChI
InChI=1S/C24H25ClN6O2/c1-3-22(32)27-18-5-4-6-20(15-18)33-23-21(25)16-26-24(29-23)28-17-7-9-19(10-8-17)31-13-11-30(2)12-14-31/h3-10,15-16H,1,11-14H2,2H3,(H,27,32)(H,26,28,29)

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with Wz3146

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

Wz40021213269-23-879 % similar N-[3-[[5-Chloro-2-[[4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]thio]phenyl]-2-propenamide1214265-57-250 % similar Olmutinib1353550-13-650 % similar Avl-2921202757-89-845 % similar Adavosertib955365-80-737 % similar Brigatinib1197953-54-034 % similar 3-(4-Methyl-1-piperazinyl)benzoic acid215309-01-631 % similar Phenyl N-[4-[4-(4-hydroxyphenyl)-1-piperazinyl]phenyl]carbamate184177-81-930 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook