N-Methyl-4-(6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide

Introduction

CAS No. :	2288709-96-4	MDL No. :	MFCD31715431
Formula :	C20H16N4O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LCRTUEXVVKVKBD-UHFFFAOYSA-N
M.W :	328.37	Pubchem ID :	134814488
Synonyms :		Chemical Name :	N-Methyl-4-(6-phenylimidazo[1,2-a]pyrazin-3-yl)benzamide

Physicochemical Properties

Num. heavy atoms :	25
Num. arom. heavy atoms :	21
Fraction Csp3 :	0.05
Num. rotatable bonds :	4
Num. H-bond acceptors :	3.0
Num. H-bond donors :	1.0
Molar Refractivity :	96.86
TPSA :	59.29 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-5.97 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.79
Log Po/w (XLOGP3) :	3.29
Log Po/w (WLOGP) :	3.42
Log Po/w (MLOGP) :	1.8
Log Po/w (SILICOS-IT) :	3.03
Consensus Log Po/w :	2.87

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.31
Solubility :	0.0162 mg/ml ; 0.0000494 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.21
Solubility :	0.0202 mg/ml ; 0.0000616 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-7.11
Solubility :	0.0000255 mg/ml ; 0.0000000778 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.58

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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