[(2R)-3-{2-[6-Chloro-5-fluoro-2-(methyloxy)-4-pyrimidinyl]hydrazino}-2-(cyclopentylmethyl)-3-oxopropyl][(phenylmethyl)oxy]formamide

HCID 86636937

Notes Reactions

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Basic information

Standard SMILES: COc1nc(Cl)c(F)c(NNC(=O)[C@H](CC2CCCC2)CN(C=O)OCc2ccccc2)n1
InChIKey: IXWDOYWDKYSHER-QGZVFWFLSA-N
Molecular formula: C22H27ClFN5O4
Average molar mass: 479.9 g/mol

Names & identifiers

Preferred name: [(2R)-3-{2-[6-Chloro-5-fluoro-2-(methyloxy)-4-pyrimidinyl]hydrazino}-2-(cyclopentylmethyl)-3-oxopropyl][(phenylmethyl)oxy]formamide
IUPAC: N-[(2R)-3-[2-(6-chloro-5-fluoro-2-methoxypyrimidin-4-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-phenylmethoxyformamide

Names & synonyms

SCHEMBL1190643IXWDOYWDKYSHER-QGZVFWFLSA-N[(2R)-3-{2-[6-Chloro-5-fluoro-2-(methyloxy)-4-pyrimidinyl]hydrazino}-2-(cyclopentylmethyl)-3-oxopropyl][(phenylmethyl)oxy]formamide

Database identifiers

PubChem CID: 86636937

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 106 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 11
Heavy atoms: 33
Formal charge: 0
Complexity: 609

Related reactions

2 records

New reaction record

HRID 1366433As reactantuspto-grants-2011_02

HRID 1366437As reactantuspto-grants-2011_02

Compound notes

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