N'-(7-Fluoropyrrolo[1,2-a]quinoxalin-4-yl)pyrazine-2-carbohydrazide

Introduction

CAS No. :	895158-95-9	MDL No. :	MFCD25976763
Formula :	C16H11FN6O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	UEADAWQSJOWXBK-UHFFFAOYSA-N
M.W :	322.30	Pubchem ID :	400169
Synonyms :		Chemical Name :	N'-(7-Fluoropyrrolo[1,2-a]quinoxalin-4-yl)pyrazine-2-carbohydrazide

Physicochemical Properties

Num. heavy atoms :	24
Num. arom. heavy atoms :	19
Fraction Csp3 :	0.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	5.0
Num. H-bond donors :	2.0
Molar Refractivity :	85.26
TPSA :	84.21 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.4 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.46
Log Po/w (XLOGP3) :	2.63
Log Po/w (WLOGP) :	2.4
Log Po/w (MLOGP) :	1.29
Log Po/w (SILICOS-IT) :	1.06
Consensus Log Po/w :	1.77

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.82
Solubility :	0.0491 mg/ml ; 0.000152 mol/l
Class :	Soluble
Log S (Ali) :	-4.05
Solubility :	0.0288 mg/ml ; 0.0000894 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.84
Solubility :	0.000463 mg/ml ; 0.00000144 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.15

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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