2-(1H-Indol-3-yl)-N-(2-{2-[3-(4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophen-6-yl)-acetamide

HCID 57720612
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Basic information

Standard SMILES
CN1CCN(CCCNc2nccc(-c3cc4ccc(NC(=O)Cc5c[nH]c6ccccc56)cc4s3)n2)CC1
InChIKey
BGXFCFUXFLXDCW-UHFFFAOYSA-N
Molecular formula
C30H33N7OS
Average molar mass
539.7 g/mol

Names & identifiers

Preferred name
2-(1H-Indol-3-yl)-N-(2-{2-[3-(4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophen-6-yl)-acetamide
IUPAC
2-(1H-indol-3-yl)-N-[2-[2-[3-(4-methylpiperazin-1-yl)propylamino]pyrimidin-4-yl]-1-benzothiophen-6-yl]acetamide

Names & synonyms

SCHEMBL3966786BGXFCFUXFLXDCW-UHFFFAOYSA-N2-(1H-Indol-3-yl)-N-(2-{2-[3-(4-methylpiperazin-1-yl)-propylamino]-pyrimidin-4-yl}-benzo[b]thiophen-6-yl)-acetamide

Database identifiers

PubChem CID
57720612

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
117 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
9
Heavy atoms
39

Related reactions

2 records
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Compound notes

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