3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

HCID 10029752
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Basic information

Standard SMILES
COc1cc(C(=O)Nc2ccc(C)c(Nc3nccc(-c4cccnc4)n3)c2)ccc1CN1CCN(C)CC1
InChIKey
HJJTUQGVIAKYCH-UHFFFAOYSA-N
Molecular formula
C30H33N7O2
Average molar mass
523.6 g/mol

Names & identifiers

Preferred name
3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide
IUPAC
3-methoxy-4-[(4-methylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide

Names & synonyms

SCHEMBL3557645

Database identifiers

PubChem CID
10029752

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
95.5 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
39

Related reactions

1 records
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Compound notes

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