(S)-6-(3-(Hydroxymethyl)pyrrolidin-1-yl)-5-(2-methylpyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide

HCID 89908446
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Basic information

Standard SMILES
Cc1ncc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CC[C@H](CO)C2)cn1
InChIKey
CIPSANBAOKMADM-HNNXBMFYSA-N
Molecular formula
C23H22F3N5O3
Average molar mass
473.4 g/mol

Names & identifiers

Preferred name
(S)-6-(3-(Hydroxymethyl)pyrrolidin-1-yl)-5-(2-methylpyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamide
IUPAC
6-[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]-5-(2-methylpyrimidin-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

Names & synonyms

(S)-6-(3-(Hydroxymethyl)pyrrolidin-1-yl)-5-(2-methylpyrimidin-5-yl)-N-(4-(trifluoromethoxy)phenyl)nicotinamideCHEMBL3914500SCHEMBL15393571BDBM213487US9278981, 79

Database identifiers

PubChem CID
89908446
ChEMBL
CHEMBL3914500

Properties

Computed structural properties

XLogP
3.3
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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