5-(5-{[(3S)-3-hydroxy-1-pyrrolidinyl]methyl}-3-thienyl)-3-{1-[(1-methylethyl)sulfonyl]-4-piperidinyl}-1H-indole-7-carboxamide

HCID 57732622
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Basic information

Standard SMILES
CC(C)S(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4csc(CN5CC[C@H](O)C5)c4)cc23)CC1
InChIKey
QVMYLIAZGQOEHB-FQEVSTJZSA-N
Molecular formula
C26H34N4O4S2
Average molar mass
530.7 g/mol

Names & identifiers

Preferred name
5-(5-{[(3S)-3-hydroxy-1-pyrrolidinyl]methyl}-3-thienyl)-3-{1-[(1-methylethyl)sulfonyl]-4-piperidinyl}-1H-indole-7-carboxamide
IUPAC
5-[5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]thiophen-3-yl]-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide

Names & synonyms

SCHEMBL551937QVMYLIAZGQOEHB-FQEVSTJZSA-N5-(5-{[(3S)-3-hydroxy-1-pyrrolidinyl]methyl}-3-thienyl)-3-{1-[(1-methylethyl)sulfonyl]-4-piperidinyl}-1H-indole-7-carboxamide

Database identifiers

PubChem CID
57732622

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
156 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

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