Details of the Drug

General Information of Drug (ID: DM3UBG2)

Drug Name

Pyrazolo[1,5-a]pyrimidine derivative 5

Synonyms

PMID26161824-Compound-135

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)

479.4

Logarithm of the Partition Coefficient (xlogp)

6.1

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C26H24Cl2N4O
IUPAC Name: 6-(2-chlorophenyl)-7-(4-chlorophenyl)-N-(1-methylcyclohexyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Canonical SMILES: CC1(CCCCC1)NC(=O)C2=C3N=CC(=C(N3N=C2)C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl
InChI: InChI=1S/C26H24Cl2N4O/c1-26(13-5-2-6-14-26)31-25(33)21-16-30-32-23(17-9-11-18(27)12-10-17)20(15-29-24(21)32)19-7-3-4-8-22(19)28/h3-4,7-12,15-16H,2,5-6,13-14H2,1H3,(H,31,33)
InChIKey: UVMYGLSWIQQBTO-UHFFFAOYSA-N