7-Chloroimidazo[1,2-a]pyrimidin-5(1H)-one

Introduction

CAS No. :	57473-33-3	MDL No. :	MFCD14706869
Formula :	C6H4ClN3O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	DQSWRYQMHDFJIC-UHFFFAOYSA-N
M.W :	169.57	Pubchem ID :	12258610
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	40.82
TPSA :	50.16 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.41 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.37
Log Po/w (XLOGP3) :	-0.1
Log Po/w (WLOGP) :	0.68
Log Po/w (MLOGP) :	0.66
Log Po/w (SILICOS-IT) :	1.27
Consensus Log Po/w :	0.77

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.43
Solubility :	6.25 mg/ml ; 0.0368 mol/l
Class :	Very soluble
Log S (Ali) :	-0.5
Solubility :	53.5 mg/ml ; 0.316 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.23
Solubility :	0.998 mg/ml ; 0.00589 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.76

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine