AP-24226
Basic information
- CAS
926922-22-7- Standard SMILES
Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccn2)cc1/C=C/n1cnc2c(NC3CC3)ncnc21- InChIKey
PPHMKXKASWTCSZ-VQHVLOKHSA-N- Molecular formula
- C24H20F3N7O
- Average molar mass
- 479.5 g/mol
- Monoisotopic mass
- 479.16814277
Names & identifiers
- Preferred name
- AP-24226
- IUPAC
- 3-[(E)-2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
- English name
- AP24226
- Molecular formula
- C24H20F3N7O
- Molecular weight
- 479.46
Names & synonyms
AP-24226926922-22-7UNII-53D46B0TIHBenzamide, 3-((1E)-2-(6-(cyclopropylamino)-9H-purin-9-yl)ethenyl)-4-methyl-N-(4-(trifluoromethyl)-2-pyridinyl)-53D46B0TIHRefChem:113282CHEMBL5568743-[(E)-2-[6-(cyclopropylamino)purin-9-yl]ethenyl]-4-methyl-N-[4-(trifluoromethyl)pyridin-2-yl]benzamideAP24226(E)-3-(2-(6-(Cyclopropylamino)-9H-purin-9-yl)vinyl)-4-methyl-N-(4-(trifluoromethyl)pyridin-2-yl)benzamidePPHMKXKASWTCSZ-VQHVLOKHSA-Norb1698376
Show more names
AP24226,AP 24226BenzaMide, 3-[(1E)-2-[6-(cyclopropylaMino)-9H-purin-9-yl]ethenyl]-4-Methyl-N-[4-(trifluoroMethyl)-2-pyridinyl]-
SCHEMBL4135027BDBM50294010AKOS040750537T30092Q272611003-(2-(6-(cyclopropylamino)-9H-purin-9-yl)vinyl)-4-methyl-N-(4-(trifluoromethyl)pyridin-2-yl)benzamide
Database identifiers
- CAS
926922-22-7- PubChem CID
- 25210550
- ChEMBL
CHEMBL556874- UNII
- 53D46B0TIH
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 97.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 777
Physicochemical properties
- FDA UNII
- 53 D46B0TIH · 53D46B0TIH
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Related reactions
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Compound notes
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