Details of the Drug

General Information of Drug (ID: DMMGWKE)

Drug Name

Pyrazole derivative 39

Synonyms

PMID26161824-Compound-53

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): 0

Molecular Weight (mw)

482.3

Logarithm of the Partition Coefficient (xlogp)

5

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

3

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C24H18Cl2FN5O
IUPAC Name: 4-(2-amino-2-iminoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-(4-fluorophenyl)pyrazole-3-carboxamide
Canonical SMILES: C1=CC=C(C(=C1)N2C(=C(C(=N2)C(=O)NC3=CC=C(C=C3)F)CC(=N)N)C4=CC=C(C=C4)Cl)Cl
InChI: InChI=1S/C24H18Cl2FN5O/c25-15-7-5-14(6-8-15)23-18(13-21(28)29)22(24(33)30-17-11-9-16(27)10-12-17)31-32(23)20-4-2-1-3-19(20)26/h1-12H,13H2,(H3,28,29)(H,30,33)
InChIKey: QWOVGBHZFLBBHN-UHFFFAOYSA-N