X-376

C₂₅H₂₅Cl₂FN₆O₃CAS 1365267-27-1547.41 g/mol

Open in Covalent MOL file

Amide Aryl halide Ether Primary amine Tertiary amine

Properties

Molecular formula: C₂₅H₂₅Cl₂FN₆O₃
Molar mass: 547.41 g/mol
Exact mass: 546.1349 Da
logP: 4.28Crippen estimate
Polar surface area: 113.7 Å²
H-bond donors / acceptors: 2 / 7
Rotatable bonds: 6
Stereocentres: Rin SMILES atom order

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

1365267-27-1

SMILES

C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=CC(=NN=C2N)C(=O)NC3=CC=C(C=C3)C(=O)N4CCN(CC4)C

InChIKey

ONPGOSVDVDPBCY-CQSZACIVSA-N

InChI

InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(31-32-23(20)29)24(35)30-16-5-3-15(4-6-16)25(36)34-11-9-33(2)10-12-34/h3-8,13-14H,9-12H2,1-2H3,(H2,29,32)(H,30,35)/t14-/m1/s1

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Similar compounds

5-Bromo-3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-pyridinamine877399-00-345 % similar (S)-Crizotinib1374356-45-240 % similar Crizotinib877399-52-540 % similar (R)-3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-2-nitropyridine877397-70-136 % similar

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

Elsewhere

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