3-(4-Morpholinopyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol

Introduction

CAS No. :	371935-74-9	MDL No. :	MFCD11983145
Formula :	C19H16N4O3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	348.36	Pubchem ID :	-
Synonyms :		Chemical Name :	3-(4-Morpholinopyrido[3',2':4,5]furo[3,2-d]pyrimidin-2-yl)phenol

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	19
Fraction Csp3 :	0.21
Num. rotatable bonds :	2
Num. H-bond acceptors :	6.0
Num. H-bond donors :	1.0
Molar Refractivity :	100.29
TPSA :	84.51 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-6.52 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.87
Log Po/w (XLOGP3) :	2.68
Log Po/w (WLOGP) :	2.6
Log Po/w (MLOGP) :	1.14
Log Po/w (SILICOS-IT) :	2.66
Consensus Log Po/w :	2.39

Druglikeness

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

Water Solubility

Log S (ESOL) :	-4.1
Solubility :	0.0279 mg/ml ; 0.00008 mol/l
Class :	Moderately soluble
Log S (Ali) :	-4.11
Solubility :	0.0272 mg/ml ; 0.0000782 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-5.93
Solubility :	0.000405 mg/ml ; 0.00000116 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	3.28

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

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