Ethyl 6-fluoropyrazolo[1,5-a]pyridine-3-carboxylate

Introduction

CAS No. :	1352625-27-4	MDL No. :	N/A
Formula :	C10H9FN2O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	ZLZKMWIDSKGQON-UHFFFAOYSA-N
M.W :	208.19	Pubchem ID :	66980566
Synonyms :

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.2
Num. rotatable bonds :	3
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	51.24
TPSA :	43.6 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) :	-6.59 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.33
Log Po/w (XLOGP3) :	1.38
Log Po/w (WLOGP) :	2.07
Log Po/w (MLOGP) :	2.03
Log Po/w (SILICOS-IT) :	1.51
Consensus Log Po/w :	1.86

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.25
Solubility :	1.18 mg/ml ; 0.00567 mol/l
Class :	Soluble
Log S (Ali) :	-1.9
Solubility :	2.63 mg/ml ; 0.0126 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.85
Solubility :	0.293 mg/ml ; 0.00141 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.94

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

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