Details of the Drug

General Information of Drug (ID: DM6XO72)

Drug Name

BRL 52974

Synonyms

145544-79-2; Ethanone,2-(3,4-dichlorophenyl)-1-[3,4,6,7-tetrahydro-4-(1-pyrrolidinylmethyl)-5H-imidazo[4,5-c]pyridin-5-yl]-; Brl-52974; Brl 52974; ACMC-20n4kx; SCHEMBL7641688; CTK4C4597; CJLJXCDVYJKDTR-UHFFFAOYSA-N; AKOS030599156; 5-((3,4-Dichlorophenyl)acetyl)-4-(1-pyrrolidinylmethyl)-4,5,6,7-tetrahydro-1H-imidazo(4,5-c)pyridine; 1H-Imidazo(4,5-c)pyridine, 5-((3,4-dichlorophenyl)acetyl)-4,5,6,7-tetrahydro-4-(1-pyrrolidinylmethyl)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

393.3

Logarithm of the Partition Coefficient (xlogp)

2.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C19H22Cl2N4O
IUPAC Name: 2-(3,4-dichlorophenyl)-1-[4-(pyrrolidin-1-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
Canonical SMILES: C1CCN(C1)CC2C3=C(CCN2C(=O)CC4=CC(=C(C=C4)Cl)Cl)NC=N3
InChI: InChI=1S/C19H22Cl2N4O/c20-14-4-3-13(9-15(14)21)10-18(26)25-8-5-16-19(23-12-22-16)17(25)11-24-6-1-2-7-24/h3-4,9,12,17H,1-2,5-8,10-11H2,(H,22,23)
InChIKey: CJLJXCDVYJKDTR-UHFFFAOYSA-N