(S)-6-(3-Hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-((trifluoromethyl)thio)phenyl)nicotinamide

HCID 89906128
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Basic information

Standard SMILES
O=C(Nc1ccc(SC(F)(F)F)cc1)c1cnc(N2CC[C@H](O)C2)c(-c2cncnc2)c1
InChIKey
UHBHXEYMLMAMQC-INIZCTEOSA-N
Molecular formula
C21H18F3N5O2S
Average molar mass
461.5 g/mol
Monoisotopic mass
461.11333049

Names & identifiers

Preferred name
(S)-6-(3-Hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-((trifluoromethyl)thio)phenyl)nicotinamide
IUPAC
6-[(3S)-3-hydroxypyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

Names & synonyms

(S)-6-(3-Hydroxypyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-((trifluoromethyl)thio)phenyl)nicotinamideCHEMBL3911446SCHEMBL15390734BDBM213593US9278981, 185

Database identifiers

PubChem CID
89906128
ChEMBL
CHEMBL3911446

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
117 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
5
Heavy atoms
32

Related reactions

1 records
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Compound notes

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