4-((4-Fluoro-3-(piperazine-1-carbonyl)phenyl)methyl)-1,2-dihydrophthalazin-1-one

C₂₀H₁₉FN₄O₂CAS 763111-47-3366.40 g/mol

Open in Covalent MOL file

Amide Aryl halide Secondary amine

Properties

Molecular formula: C₂₀H₁₉FN₄O₂
Molar mass: 366.40 g/mol
Exact mass: 366.1492 Da
logP: 1.70Crippen estimate
Polar surface area: 78.1 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 3

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

763111-47-3

SMILES

C1CN(CCN1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

InChIKey

MFFUYEOGICAKCK-UHFFFAOYSA-N

InChI

InChI=1S/C20H19FN4O2/c21-17-6-5-13(11-16(17)20(27)25-9-7-22-8-10-25)12-18-14-3-1-2-4-15(14)19(26)24-23-18/h1-6,11,22H,7-10,12H2,(H,24,26)

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Names and synonyms

1 names

4-(4-Fluoro-3-(piperazine-1-carbonyl)benzyl)phthalazin-1(2H)-one

Work with 4-((4-Fluoro-3-(piperazine-1-carbonyl)phenyl)methyl)-1,2-dihydrophthalazin-1-one

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

Azd24611174043-16-373 % similar tert-Butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-carboxylate763114-04-173 % similar Olaparib763113-22-051 % similar 2-Fluoro-5-(4-oxo-3,4-dihydrophthalazin-1-ylmethyl)benzoic acid763114-26-741 % similar 1-(2-Chloro-benzoyl)-piperazine13754-45-540 % similar 2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid25947-11-939 % similar [4-[2-(1H-Indazol-3-yl)ethenyl]phenyl]-1-piperazinylmethanone1000669-72-638 % similar 1-Benzoylpiperazine13754-38-636 % similar

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

Elsewhere

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