5-((2-Fluoro-4-iodophenyl)amino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide

Introduction

CAS No. :	1168091-68-6	MDL No. :	MFCD25976760
Formula :	C16H14FIN4O3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	RFWVETIZUQEJEF-UHFFFAOYSA-N
M.W :	456.21	Pubchem ID :	42642654
Synonyms :	RG 7421;MEK inhibitor 1;GDC-0632;G-868

Physicochemical Properties

Num. heavy atoms :	25
Num. arom. heavy atoms :	15
Fraction Csp3 :	0.12
Num. rotatable bonds :	7
Num. H-bond acceptors :	5.0
Num. H-bond donors :	3.0
Molar Refractivity :	97.46
TPSA :	87.89 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.48 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.51
Log Po/w (XLOGP3) :	3.67
Log Po/w (WLOGP) :	2.9
Log Po/w (MLOGP) :	2.36
Log Po/w (SILICOS-IT) :	1.93
Consensus Log Po/w :	2.67

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.96
Solubility :	0.00497 mg/ml ; 0.0000109 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.21
Solubility :	0.00284 mg/ml ; 0.00000623 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.73
Solubility :	0.000853 mg/ml ; 0.00000187 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.19

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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