6-Methoxyimidazo[1,2-a]pyridine-2-carboxylic acid

Introduction

CAS No. :	1159832-92-4	MDL No. :	MFCD12401188
Formula :	C9H8N2O3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	IZMWSZOKMOYZDD-UHFFFAOYSA-N
M.W :	192.17	Pubchem ID :	71742668
Synonyms :

Physicochemical Properties

Num. heavy atoms :	14
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.11
Num. rotatable bonds :	2
Num. H-bond acceptors :	4.0
Num. H-bond donors :	1.0
Molar Refractivity :	48.64
TPSA :	63.83 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.34 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.45
Log Po/w (XLOGP3) :	1.59
Log Po/w (WLOGP) :	1.04
Log Po/w (MLOGP) :	0.07
Log Po/w (SILICOS-IT) :	0.27
Consensus Log Po/w :	0.88

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-2.38
Solubility :	0.807 mg/ml ; 0.0042 mol/l
Class :	Soluble
Log S (Ali) :	-2.54
Solubility :	0.552 mg/ml ; 0.00287 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.59
Solubility :	4.94 mg/ml ; 0.0257 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.96

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

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