7-{5-Chloro-4-[2-(1-methyl-1H-imidazol-2-yl)-phenylamino]-pyrimidin-2-ylamino}-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
Basic information
- Standard SMILES
Cn1ccnc1-c1ccccc1Nc1nc(Nc2ccc3c(c2)C(C)(C)CCC(=O)N3)ncc1Cl- InChIKey
KRKMJUHASZVKSL-UHFFFAOYSA-N- Molecular formula
- C26H26ClN7O
- Average molar mass
- 488 g/mol
Names & identifiers
- Preferred name
- 7-{5-Chloro-4-[2-(1-methyl-1H-imidazol-2-yl)-phenylamino]-pyrimidin-2-ylamino}-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
- IUPAC
- 7-[[5-chloro-4-[2-(1-methylimidazol-2-yl)anilino]pyrimidin-2-yl]amino]-5,5-dimethyl-3,4-dihydro-1H-1-benzazepin-2-one
Names & synonyms
SCHEMBL886363KRKMJUHASZVKSL-UHFFFAOYSA-N7-{5-Chloro-4-[2-(1-methyl-1H-imidazol-2-yl)-phenylamino]-pyrimidin-2-ylamino}-5,5-dimethyl-1,3,4,5-tetrahydro-benzo[b]azepin-2-one
Database identifiers
- PubChem CID
- 51031002
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 96.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 738
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Related reactions
3 records
Compound notes
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