6-Fluoro-2-phenylimidazo[1,2-a]pyridine

Introduction

CAS No. :	1126635-20-8	MDL No. :	MFCD11845358
Formula :	C13H9FN2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	DWXAMLQRFAGVPR-UHFFFAOYSA-N
M.W :	212.22	Pubchem ID :	71464246
Synonyms :

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	15
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	60.59
TPSA :	17.3 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.1 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.52
Log Po/w (XLOGP3) :	3.52
Log Po/w (WLOGP) :	3.56
Log Po/w (MLOGP) :	2.67
Log Po/w (SILICOS-IT) :	2.89
Consensus Log Po/w :	3.03

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.0
Solubility :	0.0212 mg/ml ; 0.0000997 mol/l
Class :	Moderately soluble
Log S (Ali) :	-3.57
Solubility :	0.0575 mg/ml ; 0.000271 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.89
Solubility :	0.00275 mg/ml ; 0.0000129 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.17

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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