6-Chloroimidazo[1,2-a]pyridin-2-amine

Introduction

CAS No. :	1005785-45-4	MDL No. :	MFCD11846599
Formula :	C7H6ClN3	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	ZGLIWZSUORDLNM-UHFFFAOYSA-N
M.W :	167.60	Pubchem ID :	53393352
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	44.61
TPSA :	43.32 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) :	-5.87 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.55
Log Po/w (XLOGP3) :	2.04
Log Po/w (WLOGP) :	1.58
Log Po/w (MLOGP) :	1.11
Log Po/w (SILICOS-IT) :	0.87
Consensus Log Po/w :	1.43

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.77
Solubility :	0.285 mg/ml ; 0.0017 mol/l
Class :	Soluble
Log S (Ali) :	-2.58
Solubility :	0.443 mg/ml ; 0.00264 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.33
Solubility :	0.775 mg/ml ; 0.00462 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.83

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H302	Packing Group:
GHS Pictogram:

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