Basic information
- Standard SMILES
O=C(N[C@@H]1N=C(c2ccccc2)c2ccccc2N(CC(F)(F)F)C1=O)N1CCC(N2Cc3cnccc3NC2=O)CC1- InChIKey
VINJYNHLDRNZMN-SANMLTNESA-N- Molecular formula
- C30H28F3N7O3
- Average molar mass
- 591.6 g/mol
Names & identifiers
- Preferred name
- (R)-4-(2-oxo-1,2-dihydropyrido[4,3-d]pyrimidin-3(4H)-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamide
- IUPAC
- 4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3-yl)-N-[(3R)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide
Names & synonyms
CHEMBL377252(R)-4-(2-oxo-1,2-dihydropyrido[4,3-d]pyrimidin-3(4H)-yl)-N-(2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)piperidine-1-carboxamideSCHEMBL3163689BDBM501925544(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3(2h)-yl)-n-[(3r)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1h-1,4-benzodiazepin-3-yl]piperidine-1-carboxamide4-(2-oxo-1,4-dihydropyrido[4,3-d]pyrimidin-3(2h)-yl)-n-[(3r)-2-oxo-5-phenyl-1-(2,2,2-trifluoroethyl)-2,3-dihydro-1h-1,4-benzodiazepin-3-yl]piperidine-1 carboxamide
Database identifiers
- PubChem CID
- 11330786
- ChEMBL
CHEMBL377252
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 43
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
1 records
Compound notes
Loading…