N-(2-Aminophenyl)-4-((3-(6-methoxypyridin-3-yl)-1H-pyrazol-5-ylamino)methyl)benzamide
Basic information
- Standard SMILES
COc1ccc(-c2cc(NCc3ccc(C(=O)Nc4ccccc4N)cc3)[nH]n2)cn1- InChIKey
VYGLCUVODCHQBE-UHFFFAOYSA-N- Molecular formula
- C23H22N6O2
- Average molar mass
- 414.5 g/mol
- Monoisotopic mass
- 414.18042397
Names & identifiers
- Preferred name
- N-(2-Aminophenyl)-4-((3-(6-methoxypyridin-3-yl)-1H-pyrazol-5-ylamino)methyl)benzamide
- IUPAC
- N-(2-aminophenyl)-4-[[[5-(6-methoxy-3-pyridinyl)-1H-pyrazol-3-yl]amino]methyl]benzamide
Names & synonyms
SCHEMBL209996VYGLCUVODCHQBE-UHFFFAOYSA-NN-(2-Aminophenyl)-4-((3-(6-methoxypyridin-3-yl)-1H-pyrazol-5-ylamino) methyl)benzamideN-(2-Aminophenyl)-4-((3-(6-methoxypyridin-3-yl)-1H-pyrazol-5-ylamino)methyl)benzamide
Database identifiers
- PubChem CID
- 58930679
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 570
Related reactions
2 records
Compound notes
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