Basic information
- Standard SMILES
CC(C)Nc1cc(Nc2ccc(C#N)cc2)ncc1-c1nnc(CN2CCOCC2)o1- InChIKey
ADCPKYQVHGUMLV-UHFFFAOYSA-N- Molecular formula
- C22H25N7O2
- Average molar mass
- 419.5 g/mol
Names & identifiers
- Preferred name
- 4-((4-(Isopropylamino)-5-(5-(morpholinomethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)amino)benzonitrile
- IUPAC
- 4-[[5-[5-(morpholin-4-ylmethyl)-1,3,4-oxadiazol-2-yl]-4-(propan-2-ylamino)-2-pyridinyl]amino]benzonitrile
Names & synonyms
SCHEMBL15111590ADCPKYQVHGUMLV-UHFFFAOYSA-N4-((4-(isopropylamino)-5-(5-(morpholinomethyl)-1,3,4-oxadiazol-2-yl)pyridin-2-yl)amino)benzonitrile
Database identifiers
- PubChem CID
- 89690741
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 598
Related reactions
3 records
Compound notes
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