N-[4-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide

ID: ALA4101186

PubChem CID: 137659858

Max Phase: Preclinical

Molecular Formula: C25H23BClF3N2O4

Molecular Weight: 518.73

Molecule Type: Small molecule

Names and Identifiers

Canonical SMILES:  CC1(C)OB(c2cc(Cl)ccc2NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)nc2)OC1(C)C

Standard InChI:  InChI=1S/C25H23BClF3N2O4/c1-23(2)24(3,4)36-26(35-23)19-13-17(27)8-11-20(19)32-22(33)15-5-12-21(31-14-15)34-18-9-6-16(7-10-18)25(28,29)30/h5-14H,1-4H3,(H,32,33)

Standard InChI Key:  XTPIQWRZZPANDD-UHFFFAOYSA-N

Molfile:  

     RDKit          2D

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   21.1149  -11.8328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5235  -12.5405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.7323   -8.5685    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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   21.9586   -8.2041    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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 32 35  1  0
 29 36  1  0
M  END

Alternative Forms

1. Parent:

   

   ALA4101186

   ---

Molecule Features

Natural Product: No

Oral: No

Chemical Probe: No

Parenteral: No

Molecule Type: Small molecule

Topical: No

First In Class: No

Black Box: No

Chirality: No

Availability: No

Prodrug: No

Calculated Properties

Molecular Weight: 518.73

Molecular Weight (Monoisotopic): 518.1391

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Np Likeness Score: ┄

References

1. Ogiyama T, Yamaguchi M, Kurikawa N, Honzumi S, Yamamoto Y, Sugiyama D, Takakusa H, Inoue SI..  (2017)  Identification of a novel hormone sensitive lipase inhibitor with a reduced potential of reactive metabolites formation.,  25  (7): [PMID:28279560] [10.1016/j.bmc.2017.02.045]

Source

Source(1):

• Scientific Literature