Details of the Drug

General Information of Drug (ID: DMMLDUI)

Drug Name

Pyrazolo[1,5-a]pyrimidine derivative 12

Synonyms

PMID26161824-Compound-177

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)

466.9

Logarithm of the Partition Coefficient (xlogp)

4.4

Rotatable Bond Count (rotbonds)

6

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C25H24ClFN4O2
IUPAC Name: [(2S)-1-[3-(4-chlorophenyl)-7-(3-fluorophenyl)-2-(methoxymethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]methanol
Canonical SMILES: COCC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)Cl)N4CCC[C@H]4CO)C5=CC(=CC=C5)F
InChI: InChI=1S/C25H24ClFN4O2/c1-33-15-21-24(16-7-9-18(26)10-8-16)25-28-23(30-11-3-6-20(30)14-32)13-22(31(25)29-21)17-4-2-5-19(27)12-17/h2,4-5,7-10,12-13,20,32H,3,6,11,14-15H2,1H3/t20-/m0/s1
InChIKey: USQDDAWNOFWURT-FQEVSTJZSA-N