N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-N'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-5-nitrobenzene-1,4-diamine
Basic information
- Standard SMILES
COc1cc(N(C)CCN(C)C)c([N+](=O)[O-])cc1Nc1ncc(Cl)c(-c2cnn3ccccc23)n1- InChIKey
GPXCDVYRRDTDHC-UHFFFAOYSA-N- Molecular formula
- C23H25ClN8O3
- Average molar mass
- 496.9 g/mol
- Monoisotopic mass
- 496.1738144
Names & identifiers
- Preferred name
- N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-N'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-5-nitrobenzene-1,4-diamine
- IUPAC
- 1-N-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-4-N-[2-(dimethylamino)ethyl]-2-methoxy-4-N-methyl-5-nitrobenzene-1,4-diamine
Names & synonyms
SCHEMBL14719218GPXCDVYRRDTDHC-UHFFFAOYSA-NN-(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)-N'-(2-dimethylaminoethyl)-2-methoxy-N'-methyl-5-nitrobenzene-1,4-diamine
Database identifiers
- PubChem CID
- 71270273
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 700
Related reactions
2 records
Compound notes
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