5-[3-(hydroxymethyl)phenyl]-3-(1-{[3-(1-pyrrolidinyl)propyl]sulfonyl}-4-piperidinyl)-1H-indole-7-carboxamide

HCID 11613367
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Basic information

Standard SMILES
NC(=O)c1cc(-c2cccc(CO)c2)cc2c(C3CCN(S(=O)(=O)CCCN4CCCC4)CC3)c[nH]c12
InChIKey
PDGOXJPIYZSOGH-UHFFFAOYSA-N
Molecular formula
C28H36N4O4S
Average molar mass
524.7 g/mol
Monoisotopic mass
524.24572682

Names & identifiers

Preferred name
5-[3-(hydroxymethyl)phenyl]-3-(1-{[3-(1-pyrrolidinyl)propyl]sulfonyl}-4-piperidinyl)-1H-indole-7-carboxamide
IUPAC
5-[3-(hydroxymethyl)phenyl]-3-[1-(3-pyrrolidin-1-ylpropylsulfonyl)piperidin-4-yl]-1H-indole-7-carboxamide

Names & synonyms

SCHEMBL3795266PDGOXJPIYZSOGH-UHFFFAOYSA-N5-[3-(hydroxymethyl)phenyl]-3-(1-{[3-(1-pyrrolidinyl)propyl]sulfonyl}-4-piperidinyl)-1H-indole-7-carboxamide

Database identifiers

PubChem CID
11613367

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
128 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
9
Heavy atoms
37

Related reactions

3 records
New reaction record

Compound notes

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