6-(3-(2-Hydroxypropan-2-yl)azetidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide

HCID 89908451
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Basic information

Standard SMILES
CC(C)(O)C1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cc2-c2cncnc2)C1
InChIKey
VSUHQPVJGGKDMR-UHFFFAOYSA-N
Molecular formula
C23H22F3N5O3
Average molar mass
473.4 g/mol

Names & identifiers

Preferred name
6-(3-(2-Hydroxypropan-2-yl)azetidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
IUPAC
6-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

Names & synonyms

6-(3-(2-Hydroxypropan-2-yl)azetidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideCHEMBL3903302SCHEMBL15393578BDBM213550US9278981, 142

Database identifiers

PubChem CID
89908451
ChEMBL
CHEMBL3903302

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
100 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
6
Heavy atoms
34

Related reactions

1 records
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Compound notes

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