(6-Fluoroimidazo[1,2-a]pyridin-3-yl)(phenyl)methanone

Introduction

CAS No. :	1634647-80-5	MDL No. :	MFCD28142906
Formula :	C14H9FN2O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	XQUTVRVWWJZXOJ-UHFFFAOYSA-N
M.W :	240.23	Pubchem ID :	118703840
Synonyms :

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	15
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	65.02
TPSA :	34.37 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) :	-5.25 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.46
Log Po/w (XLOGP3) :	3.54
Log Po/w (WLOGP) :	3.12
Log Po/w (MLOGP) :	1.98
Log Po/w (SILICOS-IT) :	2.75
Consensus Log Po/w :	2.77

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.04
Solubility :	0.0217 mg/ml ; 0.0000903 mol/l
Class :	Moderately soluble
Log S (Ali) :	-3.95
Solubility :	0.0272 mg/ml ; 0.000113 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.84
Solubility :	0.0035 mg/ml ; 0.0000146 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.12

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

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