[(2R)-3-(2-{2-chloro-5-fluoro-6-[(1-methylethyl)amino]-4-pyrimidinyl}hydrazino)-2-(cyclopentylmethyl)-3-oxopropyl][(phenylmethyl)oxy]formamide

HCID 86636923
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Basic information

Standard SMILES
CC(C)Nc1nc(Cl)nc(NNC(=O)[C@H](CC2CCCC2)CN(C=O)OCc2ccccc2)c1F
InChIKey
MZRUPIRWDZZIHY-LJQANCHMSA-N
Molecular formula
C24H32ClFN6O3
Average molar mass
507 g/mol
Monoisotopic mass
506.2208448

Names & identifiers

Preferred name
[(2R)-3-(2-{2-chloro-5-fluoro-6-[(1-methylethyl)amino]-4-pyrimidinyl}hydrazino)-2-(cyclopentylmethyl)-3-oxopropyl][(phenylmethyl)oxy]formamide
IUPAC
N-[(2R)-3-[2-[2-chloro-5-fluoro-6-(propan-2-ylamino)pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-phenylmethoxyformamide

Names & synonyms

SCHEMBL1190611MZRUPIRWDZZIHY-LJQANCHMSA-N[(2R)-3-(2-{2-chloro-5-fluoro-6-[(1-methylethyl)amino]-4-pyrimidinyl}hydrazino)-2-(cyclopentylmethyl)-3-oxopropyl][(phenylmethyl)oxy]formamide

Database identifiers

PubChem CID
86636923

Properties

Computed structural properties

XLogP
5.8
Topological polar surface area
108 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
12
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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