Basic information
- Standard SMILES
Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(C=O)OCc2ccccc2)c(F)c(N2CC(N(C)C)C(C)(C)C2)n1- InChIKey
QHHVOQQKRGXDCL-IKOFQBKESA-N- Molecular formula
- C30H44FN7O3
- Average molar mass
- 569.7 g/mol
- Monoisotopic mass
- 569.34896645
Names & identifiers
- Preferred name
- [(2R)-2-(cyclopentylmethyl)-3-(2-{6-[4-(dimethylamino)-3,3-dimethyl-1-pyrrolidinyl]-5-fluoro-2-methyl-4-pyrimidinyl}hydrazino)-3-oxopropyl][(phenylmethyl)oxy]formamide
- IUPAC
- N-[(2R)-2-(cyclopentylmethyl)-3-[2-[6-[4-(dimethylamino)-3,3-dimethylpyrrolidin-1-yl]-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide
Names & synonyms
SCHEMBL1189756QHHVOQQKRGXDCL-IKOFQBKESA-N[(2R)-2-(cyclopentylmethyl)-3-(2-{6-[4-(dimethylamino)-3,3-dimethyl-1-pyrrolidinyl]-5-fluoro-2-methyl-4-pyrimidinyl}hydrazino)-3-oxopropyl][(phenylmethyl)oxy]formamide
Database identifiers
- PubChem CID
- 86636965
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 837
Related reactions
2 records
Compound notes
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