Pyrazolo[1,5-a]pyridin-5-amine

Introduction

CAS No. :	1101120-37-9	MDL No. :	MFCD19215457
Formula :	C7H7N3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	AEWORWAKEFTHQF-UHFFFAOYSA-N
M.W :	133.15	Pubchem ID :	55285942
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	1.0
Molar Refractivity :	39.6
TPSA :	43.32 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) :	-6.84 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.34
Log Po/w (XLOGP3) :	0.38
Log Po/w (WLOGP) :	0.92
Log Po/w (MLOGP) :	0.78
Log Po/w (SILICOS-IT) :	0.27
Consensus Log Po/w :	0.74

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.57
Solubility :	3.58 mg/ml ; 0.0269 mol/l
Class :	Very soluble
Log S (Ali) :	-0.86
Solubility :	18.6 mg/ml ; 0.14 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.69
Solubility :	2.71 mg/ml ; 0.0203 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.47

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H332-H335	Packing Group:	N/A
GHS Pictogram:

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