(S)-6-(3-(hydroxymethyl)pyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide

HCID 89908000

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Basic information

Standard SMILES: O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CC[C@H](CO)C2)c(-c2cncnc2)c1
InChIKey: KSVMXLZKYBUCLY-AWEZNQCLSA-N
Molecular formula: C22H20F3N5O3
Average molar mass: 459.4 g/mol

Names & identifiers

Preferred name: (S)-6-(3-(hydroxymethyl)pyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
IUPAC: 6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

Names & synonyms

(S)-6-(3-(hydroxymethyl)pyrrolidin-1-yl)-5-(pyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideCHEMBL3939040SCHEMBL15393097BDBM213486US9278981, 78

Database identifiers

PubChem CID: 89908000
ChEMBL: CHEMBL3939040

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 100 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 6
Heavy atoms: 33
Formal charge: 0
Complexity: 641

Related reactions

1 records

New reaction record

HRID 923900As productuspto-grants-2016_03

Compound notes

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