4-(Chloromethyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide

C₂₄H₂₀ClN₅OCAS 404844-11-7429.91 g/mol

Open in Covalent MOL file

Alkyl halide Amide Secondary amine

Properties

Molecular formula: C₂₄H₂₀ClN₅O
Molar mass: 429.91 g/mol
Exact mass: 429.1356 Da
logP: 5.58Crippen estimate
Polar surface area: 79.8 Å²
H-bond donors / acceptors: 2 / 5
Rotatable bonds: 6

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

404844-11-7

SMILES

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CCl)NC3=NC=CC(=N3)C4=CN=CC=C4

InChIKey

WUGWDFMSJPJUEZ-UHFFFAOYSA-N

InChI

InChI=1S/C24H20ClN5O/c1-16-4-9-20(28-23(31)18-7-5-17(14-25)6-8-18)13-22(16)30-24-27-12-10-21(29-24)19-3-2-11-26-15-19/h2-13,15H,14H2,1H3,(H,28,31)(H,27,29,30)

Weigh it out

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Names and synonyms

1 names

4-Chloromethyl-N-[4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]phenyl]benzamide

Work with 4-(Chloromethyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide

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

N-Desmethyl imatinib404844-02-679 % similar Imatinib152459-95-575 % similar 4-[(4-Methyl-4-oxidopiperazin-4-ium-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide571186-91-971 % similar Imatinib mesylate220127-57-166 % similar 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoic acid641569-94-061 % similar Methyl 4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzoate917392-54-259 % similar Ethyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate641569-97-359 % similar Jnk-in-81410880-22-655 % similar

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

Elsewhere

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