3-[3-[4-(5-Methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-5-[(1,2-dioxo-4-methyl-3-cyclobuten-3-yl)aminomethyl]indole

HCID 54374423
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Basic information

Standard SMILES
COc1cncnc1N1CCN(CCCc2c[nH]c3ccc(CNc4c(C)c(=O)c4=O)cc23)CC1
InChIKey
UVMDVKGZVMXEBA-UHFFFAOYSA-N
Molecular formula
C26H30N6O3
Average molar mass
474.6 g/mol
Monoisotopic mass
474.23793884

Names & identifiers

Preferred name
3-[3-[4-(5-Methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-5-[(1,2-dioxo-4-methyl-3-cyclobuten-3-yl)aminomethyl]indole
IUPAC
3-[[3-[3-[4-(5-methoxypyrimidin-4-yl)piperazin-1-yl]propyl]-1H-indol-5-yl]methylamino]-4-methylcyclobut-3-ene-1,2-dione

Names & synonyms

SCHEMBL8978721UVMDVKGZVMXEBA-UHFFFAOYSA-N3-[3-[4-(5-Methoxy-4-pyrimidinyl)-1-piperazinyl]propyl]-5-[(1,2-dioxo-4-methyl-3-cyclobuten-3-yl)aminomethyl]indole

Database identifiers

PubChem CID
54374423

Properties

Computed structural properties

XLogP
2.6
Topological polar surface area
103 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
9
Heavy atoms
35

Related reactions

1 records
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Compound notes

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