5-[5-({[(1R)-1,2-dimethylpropyl]amino}methyl)-2-thienyl]-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

HCID 57732776
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Basic information

Standard SMILES
CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(CN[C@H](C)C(C)C)s4)cc23)CC1
InChIKey
BHKDRJFRESDNBY-QGZVFWFLSA-N
Molecular formula
C26H36N4O3S2
Average molar mass
516.7 g/mol
Monoisotopic mass
516.22288337

Names & identifiers

Preferred name
5-[5-({[(1R)-1,2-dimethylpropyl]amino}methyl)-2-thienyl]-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
IUPAC
3-(1-ethylsulfonylpiperidin-4-yl)-5-[5-[[[(2R)-3-methylbutan-2-yl]amino]methyl]thiophen-2-yl]-1H-indole-7-carboxamide

Names & synonyms

SCHEMBL552575BHKDRJFRESDNBY-QGZVFWFLSA-N5-[5-({[(1R)-1,2-dimethylpropyl]amino}methyl)-2-thienyl]-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

Database identifiers

PubChem CID
57732776

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
145 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
35

Related reactions

2 records
New reaction record

Compound notes

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