Basic information
- Standard SMILES
CONC(=O)c1ccccc1Nc1cc(Nc2cn(C)nc2C)ncc1Cl- InChIKey
KTYCOOWCLAUUPX-UHFFFAOYSA-N- Molecular formula
- C18H19ClN6O2
- Average molar mass
- 386.8 g/mol
- Monoisotopic mass
- 386.1258016
Names & identifiers
- Preferred name
- 2-({5-Chloro-2-[(1,3-dimethyl-1H-pyrazol-4-yl)-amino]-4-pyridinyl}amino)-N-(methyloxy)benzamide
- IUPAC
- 2-[[5-chloro-2-[(1,3-dimethylpyrazol-4-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
Names & synonyms
SCHEMBL691594KTYCOOWCLAUUPX-UHFFFAOYSA-N2-({5-Chloro-2-[(1,3-dimethyl-1H-pyrazol-4-yl)-amino]-4-pyridinyl}amino)-N-(methyloxy)benzamide2-({5-Chloro-2-[(1,3-dimethyl-1H-pyrazol-4-yl)amino]-4-pyridinyl}amino)-N-(methyloxy)benzamide
Database identifiers
- PubChem CID
- 44609511
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 93.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 498
Related reactions
3 records
Linked notes
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