Details of the Drug

General Information of Drug (ID: DMDTQCG)

Drug Name

Pyrazole derivative 31

Synonyms

PMID26161824-Compound-45

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)

567.8

Logarithm of the Partition Coefficient (xlogp)

6.8

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C27H21Cl3N6O2
IUPAC Name: 3-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-pyridin-2-ylpyrazole-4-carboxamide
Canonical SMILES: CC(C)(C)C1=NN=C(O1)C2=NN(C(=C2C(=O)NC3=CC=CC=N3)C4=CC=C(C=C4)Cl)C5=C(C=C(C=C5)Cl)Cl
InChI: InChI=1S/C27H21Cl3N6O2/c1-27(2,3)26-34-33-25(38-26)22-21(24(37)32-20-6-4-5-13-31-20)23(15-7-9-16(28)10-8-15)36(35-22)19-12-11-17(29)14-18(19)30/h4-14H,1-3H3,(H,31,32,37)
InChIKey: UGTKDMCWCRRUHZ-UHFFFAOYSA-N