N-(4-{2-[4-(1H-indazol-3-yl)-piperazin-1-yl]-ethyl}-2-methyl-phenyl)-acetamide

HCID 21963593
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Basic information

Standard SMILES
CC(=O)Nc1ccc(CCN2CCN(c3n[nH]c4ccccc34)CC2)cc1C
InChIKey
JVHKAXBUEVXGTD-UHFFFAOYSA-N
Molecular formula
C22H27N5O
Average molar mass
377.5 g/mol

Names & identifiers

Preferred name
N-(4-{2-[4-(1H-indazol-3-yl)-piperazin-1-yl]-ethyl}-2-methyl-phenyl)-acetamide
IUPAC
N-[4-[2-[4-(1H-indazol-3-yl)piperazin-1-yl]ethyl]-2-methylphenyl]acetamide

Names & synonyms

SCHEMBL6106507JVHKAXBUEVXGTD-UHFFFAOYSA-NN-(4-{2-[4-(1H-indazol-3-yl)-piperazin-1-yl]-ethyl}-2-methyl-phenyl)-acetamide

Database identifiers

PubChem CID
21963593

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
64.3 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
28

Related reactions

1 records
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Compound notes

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