Details of the Drug

General Information of Drug (ID: DMPVDSC)

Drug Name

Pyrazole derivative 38

Synonyms

PMID26161824-Compound-52

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): 1

Molecular Weight (mw)

504.4

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C26H19Cl2N5O2
IUPAC Name: 4-(2-amino-2-oxoethyl)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-N-[(4-cyanophenyl)methyl]pyrazole-3-carboxamide
Canonical SMILES: C1=CC=C(C(=C1)N2C(=C(C(=N2)C(=O)NCC3=CC=C(C=C3)C#N)CC(=O)N)C4=CC=C(C=C4)Cl)Cl
InChI: InChI=1S/C26H19Cl2N5O2/c27-19-11-9-18(10-12-19)25-20(13-23(30)34)24(32-33(25)22-4-2-1-3-21(22)28)26(35)31-15-17-7-5-16(14-29)6-8-17/h1-12H,13,15H2,(H2,30,34)(H,31,35)
InChIKey: XBSLPZFPNMDPEG-UHFFFAOYSA-N