(+/-)-(3R,4R)-1-(2-chloro-5-cyano-3-((7-cyano-4-(ethylamino)imidazo[2,1-f][1,2,4]triazin-2-yl)amino)phenyl)-4-((methoxycarbonyl)amino)piperidin-3-yl 2-(phosphonooxy)propanoate
Basic information
- Standard SMILES
CCNc1nc(Nc2cc(C#N)cc(N3CC[C@@H](NC(=O)OC)[C@H](OC(=O)C(C)OP(=O)(O)O)C3)c2Cl)nn2c(C#N)cnc12- InChIKey
NZFZKRBTUQQGAX-FDMCOVCTSA-N- Molecular formula
- C25H28ClN10O8P
- Average molar mass
- 663 g/mol
Names & identifiers
- Preferred name
- (+/-)-(3R,4R)-1-(2-chloro-5-cyano-3-((7-cyano-4-(ethylamino)imidazo[2,1-f][1,2,4]triazin-2-yl)amino)phenyl)-4-((methoxycarbonyl)amino)piperidin-3-yl 2-(phosphonooxy)propanoate
- IUPAC
- [(3R,4R)-1-[2-chloro-5-cyano-3-[[7-cyano-4-(ethylamino)imidazo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]-4-(methoxycarbonylamino)piperidin-3-yl] 2-phosphonooxypropanoate
Names & synonyms
SCHEMBL15407307NZFZKRBTUQQGAX-FDMCOVCTSA-N(+/-)-(3R,4R)-1-(2-chloro-5-cyano-3-((7-cyano-4-(ethylamino)imidazo[2,1-f][1,2,4]triazin-2-yl)amino)phenyl)-4-((methoxycarbonyl)amino)piperidin-3-yl 2-(phosphonooxy)propanoate
Database identifiers
- PubChem CID
- 89918705
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 249 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 12
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,210
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
1 records
Compound notes
Loading…