Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCc2cc(-c3nnc(-c4nc(-c5ccnc(C(C)(C)C#N)c5)cnc4N)o3)ccc2C1- InChIKey
MLRSIQWZNMVZGY-UHFFFAOYSA-N- Molecular formula
- C29H30N8O3
- Average molar mass
- 538.6 g/mol
Names & identifiers
- Preferred name
- tert-butyl 6-(5-(3-amino-6-(2-(2-cyanopropan-2-yl)pyridin-4-yl)pyrazin-2-yl)-1,3,4-oxadiazol-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
- IUPAC
- tert-butyl 6-[5-[3-amino-6-[2-(2-cyanopropan-2-yl)-4-pyridinyl]pyrazin-2-yl]-1,3,4-oxadiazol-2-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
Names & synonyms
SCHEMBL13195650MLRSIQWZNMVZGY-UHFFFAOYSA-Ntert-butyl 6-(5-(3-amino-6-(2-(2-cyanopropan-2-yl)pyridin-4-yl)pyrazin-2-yl)-1,3,4-oxadiazol-2-yl)-3,4-dihydroisoquinoline-2(1H)-carboxylate
Database identifiers
- PubChem CID
- 70856413
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 157 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 947
Related reactions
1 records
Compound notes
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