Basic information
- Standard SMILES
COc1ccc(-c2nc3ccccn3c2-c2ccnc(Nc3cccc(OCCN(C)C)c3)n2)cc1C#N- InChIKey
AFZQHMMICUTZBK-UHFFFAOYSA-N- Molecular formula
- C29H27N7O2
- Average molar mass
- 505.6 g/mol
- Monoisotopic mass
- 505.22262313
Names & identifiers
- Preferred name
- 5-(3-{2-[(3-{[2-(Dimethylamino)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}imidazo-[1,2-a]pyridin-2-yl)-2-(methyloxy)benzonitrile
- IUPAC
- 5-[3-[2-[3-[2-(dimethylamino)ethoxy]anilino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-2-yl]-2-methoxybenzonitrile
Names & synonyms
SCHEMBL310094AFZQHMMICUTZBK-UHFFFAOYSA-N5-(3-{2-[(3-{[2-(dimethylamino)ethyl]oxy}phenyl)amino]-4-pyrimidinyl}imidazo-[1,2-a]pyridin-2-yl)-2-(methyloxy)benzonitrile
Database identifiers
- PubChem CID
- 59452804
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 790
Related reactions
2 records
Compound notes
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