Azd2461

C₂₂H₂₂FN₃O₃CAS 1174043-16-3395.43 g/mol

Open in Covalent MOL file

Amide Aryl halide Ether

Properties

Molecular formula: C₂₂H₂₂FN₃O₃
Molar mass: 395.43 g/mol
Exact mass: 395.1645 Da
logP: 2.90Crippen estimate
Polar surface area: 75.3 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P301+P317, P319, P330, P501

Identifiers

CAS number

1174043-16-3

SMILES

COC1CCN(CC1)C(=O)C2=C(C=CC(=C2)CC3=NNC(=O)C4=CC=CC=C43)F

InChIKey

HYNBNUYQTQIHJK-UHFFFAOYSA-N

InChI

InChI=1S/C22H22FN3O3/c1-29-15-8-10-26(11-9-15)22(28)18-12-14(6-7-19(18)23)13-20-16-4-2-3-5-17(16)21(27)25-24-20/h2-7,12,15H,8-11,13H2,1H3,(H,25,27)

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Similar compounds

4-((4-Fluoro-3-(piperazine-1-carbonyl)phenyl)methyl)-1,2-dihydrophthalazin-1-one763111-47-373 % similar tert-Butyl 4-(2-fluoro-5-((4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoyl)piperazine-1-carboxylate763114-04-170 % similar Olaparib763113-22-050 % similar 2-Fluoro-5-[(4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid763114-26-738 % similar 2-(4-Oxo-3,4-dihydrophthalazin-1-yl)acetic acid25947-11-936 % similar

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

Same formula

Ketanserin74050-98-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook