5,6,7,8-Tetrahydroimidazo[1,2-a]pyridin-6-ol

Introduction

CAS No. :	1100750-16-0	MDL No. :	MFCD21336103
Formula :	C7H10N2O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	QBXYDBADRJEYEN-UHFFFAOYSA-N
M.W :	138.16	Pubchem ID :	25209172
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.57
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	37.12
TPSA :	38.05 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.31 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.3
Log Po/w (XLOGP3) :	-0.24
Log Po/w (WLOGP) :	0.19
Log Po/w (MLOGP) :	-0.21
Log Po/w (SILICOS-IT) :	0.48
Consensus Log Po/w :	0.3

Druglikeness

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

Water Solubility

Log S (ESOL) :	-0.92
Solubility :	16.8 mg/ml ; 0.121 mol/l
Class :	Very soluble
Log S (Ali) :	-0.1
Solubility :	109.0 mg/ml ; 0.792 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-0.68
Solubility :	28.6 mg/ml ; 0.207 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.54

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:
GHS Pictogram:

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