Basic information
- Standard SMILES
CN1CCN(c2nc(Cl)nc(NNC(=O)[C@H](CC3CCCC3)CN(C=O)OC3CCCCO3)c2F)CC1- InChIKey
QPDVEKULEUBTSV-MRTLOADZSA-N- Molecular formula
- C24H37ClFN7O4
- Average molar mass
- 542 g/mol
- Monoisotopic mass
- 541.2579585
Names & identifiers
- Preferred name
- [(2R)-3-{2-[2-chloro-5-fluoro-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]hydrazino}-2-(cyclopentylmethyl)-3-oxopropyl](tetrahydro-2H-pyran-2-yloxy) formamide
- IUPAC
- N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-(oxan-2-yloxy)formamide
Names & synonyms
SCHEMBL1190503QPDVEKULEUBTSV-MRTLOADZSA-N[(2R)-3-{2-[2-chloro-5-fluoro-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]hydrazino}-2-(cyclopentylmethyl)-3-oxopropyl](tetrahydro-2H-pyran-2-yloxy) formamide[(2R)-3-{2-[2-chloro-5-fluoro-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]hydrazino}-2-(cyclopentylmethyl)-3-oxopropyl](tetrahydro-2H-pyran-2-yloxy)formamide
Database identifiers
- PubChem CID
- 86636920
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 729
Related reactions
2 records
Compound notes
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