1-(1-(2-((5S)-2-(2-(2-(dimethylamino)ethylamino)-3-fluorophenyl)-3-(3,3-dimethylbutyl)-4-oxothiazolidin-5-yl)acetyl)piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one

HCID 57774376
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Basic information

Standard SMILES
CN(C)CCNc1c(F)cccc1C1S[C@@H](CC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)C(=O)N1CCC(C)(C)C
InChIKey
PCBJQJOOSMWZJX-SUHMBNCMSA-N
Molecular formula
C32H44FN7O3S
Average molar mass
625.8 g/mol

Names & identifiers

Preferred name
1-(1-(2-((5S)-2-(2-(2-(dimethylamino)ethylamino)-3-fluorophenyl)-3-(3,3-dimethylbutyl)-4-oxothiazolidin-5-yl)acetyl)piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one
IUPAC
(5S)-2-[2-[2-(dimethylamino)ethylamino]-3-fluorophenyl]-3-(3,3-dimethylbutyl)-5-[2-oxo-2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one

Names & synonyms

SCHEMBL2101006PCBJQJOOSMWZJX-SUHMBNCMSA-N1-(1-(2-((5S)-2-(2-(2-(dimethylamino)ethylamino)-3-fluorophenyl)-3-(3,3-dimethylbutyl)-4-oxothiazolidin-5-yl)acetyl)piperidin-4-yl)-1H-imidazo[4,5-b]pyridin-2(3H)-one

Database identifiers

PubChem CID
57774376

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
126 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
11
Heavy atoms
44

Related reactions

1 records
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Compound notes

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