Ethyl 7-chloroimidazo[1,2-a]pyridine-3-carboxylate

Introduction

CAS No. :	1296201-68-7	MDL No. :	MFCD22200342
Formula :	C10H9ClN2O2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	PRZDNEWTCXZFFJ-UHFFFAOYSA-N
M.W :	224.64	Pubchem ID :	67107280
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.2
Num. rotatable bonds :	3
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	56.29
TPSA :	43.6 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.58 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.57
Log Po/w (XLOGP3) :	2.94
Log Po/w (WLOGP) :	2.16
Log Po/w (MLOGP) :	1.5
Log Po/w (SILICOS-IT) :	1.73
Consensus Log Po/w :	2.18

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.33
Solubility :	0.105 mg/ml ; 0.000467 mol/l
Class :	Soluble
Log S (Ali) :	-3.52
Solubility :	0.0682 mg/ml ; 0.000304 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.19
Solubility :	0.145 mg/ml ; 0.000646 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.98

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H320-H335	Packing Group:
GHS Pictogram:

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