((2R)-2-(Cyclopentylmethyl)-3-{2-[2-ethyl-5-fluoro-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]hydrazino}-3-oxopropyl)[(phenylmethyl)oxy]formamide

HCID 86636931
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Basic information

Standard SMILES
CCc1nc(NNC(=O)[C@H](CC2CCCC2)CN(C=O)OCc2ccccc2)c(F)c(N2CCN(C)CC2)n1
InChIKey
VGDURUOJFWONIZ-HSZRJFAPSA-N
Molecular formula
C28H40FN7O3
Average molar mass
541.7 g/mol
Monoisotopic mass
541.31766633

Names & identifiers

Preferred name
((2R)-2-(Cyclopentylmethyl)-3-{2-[2-ethyl-5-fluoro-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]hydrazino}-3-oxopropyl)[(phenylmethyl)oxy]formamide
IUPAC
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[2-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-phenylmethoxyformamide

Names & synonyms

SCHEMBL1188866VGDURUOJFWONIZ-HSZRJFAPSA-N((2R)-2-(Cyclopentylmethyl)-3-{2-[2-ethyl-5-fluoro-6-(4-methyl-1-piperazinyl)-4-pyrimidinyl]hydrazino}-3-oxopropyl)[(phenylmethyl)oxy]formamide

Database identifiers

PubChem CID
86636931

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
103 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
9
Rotatable bonds
12
Heavy atoms
39

Related reactions

2 records
New reaction record

Compound notes

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