6,7-Dihydroimidazo[1,5-a]pyridin-8(5H)-one

Introduction

CAS No. :	426219-51-4	MDL No. :	MFCD11110652
Formula :	C7H8N2O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SPZRVKIZAPHPOR-UHFFFAOYSA-N
M.W :	136.15	Pubchem ID :	16752069
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	5
Fraction Csp3 :	0.43
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	36.38
TPSA :	34.89 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.05 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.11
Log Po/w (XLOGP3) :	0.12
Log Po/w (WLOGP) :	0.86
Log Po/w (MLOGP) :	-0.3
Log Po/w (SILICOS-IT) :	1.07
Consensus Log Po/w :	0.57

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.13
Solubility :	10.1 mg/ml ; 0.0742 mol/l
Class :	Very soluble
Log S (Ali) :	-0.41
Solubility :	53.2 mg/ml ; 0.39 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.38
Solubility :	5.73 mg/ml ; 0.0421 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.9

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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