6-Methoxyimidazo[1,2-a]pyridine

Introduction

CAS No. :	955376-51-9	MDL No. :	MFCD11877992
Formula :	C8H8N2O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	HLTPJCOHIDPWTP-UHFFFAOYSA-N
M.W :	148.16	Pubchem ID :	21684876
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.12
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	41.68
TPSA :	26.53 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) :	-5.98 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.99
Log Po/w (XLOGP3) :	1.73
Log Po/w (WLOGP) :	1.34
Log Po/w (MLOGP) :	0.44
Log Po/w (SILICOS-IT) :	0.93
Consensus Log Po/w :	1.29

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.39
Solubility :	0.606 mg/ml ; 0.00409 mol/l
Class :	Soluble
Log S (Ali) :	-1.9
Solubility :	1.85 mg/ml ; 0.0125 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.19
Solubility :	0.95 mg/ml ; 0.00641 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.88

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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