Ethyl 4-methoxypyrazolo[1,5-a]pyridine-3-carboxylate

Introduction

CAS No. :	909717-95-9	MDL No. :	MFCD25968772
Formula :	C11H12N2O3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SDVFLQFOGOPRKG-UHFFFAOYSA-N
M.W :	220.22	Pubchem ID :	86346377
Synonyms :

Physicochemical Properties

Num. heavy atoms :	16
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.27
Num. rotatable bonds :	4
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	57.77
TPSA :	52.83 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) :	-6.76 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.34
Log Po/w (XLOGP3) :	1.25
Log Po/w (WLOGP) :	1.52
Log Po/w (MLOGP) :	1.34
Log Po/w (SILICOS-IT) :	1.11
Consensus Log Po/w :	1.51

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.15
Solubility :	1.58 mg/ml ; 0.00716 mol/l
Class :	Soluble
Log S (Ali) :	-1.96
Solubility :	2.43 mg/ml ; 0.011 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.7
Solubility :	0.437 mg/ml ; 0.00199 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.22

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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