Details of the Drug

General Information of Drug (ID: DMU59IJ)

Drug Name

Pyrazole derivative 32

Synonyms

PMID26161824-Compound-46

Indication

Disease Entry	ICD 11	Status	REF
Obesity	5B81	Patented	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 2

Molecular Weight (mw)

591.3

Logarithm of the Partition Coefficient (xlogp)

7.2

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C25H22BrCl2N5OS
IUPAC Name: 5-(4-bromophenyl)-3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-1-(2,4-dichlorophenyl)pyrazole-4-carboxamide
Canonical SMILES: CC(C)(C)C1=NN=C(S1)C2=NN(C(=C2C(=O)NC3CC3)C4=CC=C(C=C4)Br)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C25H22BrCl2N5OS/c1-25(2,3)24-31-30-23(35-24)20-19(22(34)29-16-9-10-16)21(13-4-6-14(26)7-5-13)33(32-20)18-11-8-15(27)12-17(18)28/h4-8,11-12,16H,9-10H2,1-3H3,(H,29,34)
InChIKey: GBQKLVGYQWGQEF-UHFFFAOYSA-N