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5-{5-[(ethylamino)methyl]-3-pyridinyl}-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

HCID 57732775
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCNCc1cncc(-c2cc(C(N)=O)c3[nH]cc(C4CCN(S(=O)(=O)CC)CC4)c3c2)c1
InChIKey
GJYUWCFARXJRNG-UHFFFAOYSA-N
Molecular formula
C24H31N5O3S
Average molar mass
469.6 g/mol

Names & identifiers

Preferred name
5-{5-[(ethylamino)methyl]-3-pyridinyl}-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
IUPAC
5-[5-(ethylaminomethyl)-3-pyridinyl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide

Names & synonyms

SCHEMBL552294GJYUWCFARXJRNG-UHFFFAOYSA-N5-{5-[(ethylamino)methyl]-3-pyridinyl}-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide

Database identifiers

PubChem CID
57732775

Properties

Computed structural properties

XLogP
1.4
Topological polar surface area
130 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
8
Heavy atoms
33
Formal charge
0
Complexity
765

Related reactions

3 records
New reaction record
HRID 113295 reaction equation
HRID 113295As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 562152 reaction equation
HRID 562152As productuspto-grants-2011_11
HRID 1806338 reaction equation
HRID 1806338As productuspto-grants-2013_01

Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes