Basic information
- Standard SMILES
CN1C[C@@H]2C[C@H]1CN2c1nc(Cl)nc(NNC(=O)[C@H](CC2CCCC2)CN(C=O)OCc2ccccc2)c1F- InChIKey
NKANMRPZGWUSPJ-FSSWDIPSSA-N- Molecular formula
- C27H35ClFN7O3
- Average molar mass
- 560.1 g/mol
- Monoisotopic mass
- 559.2473939
Names & identifiers
- Preferred name
- [(2R)-3-(2-{2-chloro-5-fluoro-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-pyrimidinyl}hydrazino)-2-(cyclopentyl methyl)-3-oxopropyl][(phenylmethyl)oxy]formamide
- IUPAC
- N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-phenylmethoxyformamide
Names & synonyms
SCHEMBL1189433NKANMRPZGWUSPJ-FSSWDIPSSA-N[(2R)-3-(2-{2-chloro-5-fluoro-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-pyrimidinyl}hydrazino)-2-(cyclopentyl methyl)-3-oxopropyl][(phenylmethyl)oxy]formamide[(2R)-3-(2-{2-chloro-5-fluoro-6-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]hept-2-yl]-4-pyrimidinyl}hydrazino)-2-(cyclopentylmethyl)-3-oxopropyl][(phenylmethyl)oxy]formamide
Database identifiers
- PubChem CID
- 86636926
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 818
Related reactions
2 records
Compound notes
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