1260769-87-6 6-Methyl-1,2,3,4-tetrahydropyrido[2,3-b]pyrazine

Introduction

CAS No. :	1260769-87-6	MDL No. :	MFCD13193481
Formula :	C8H11N3	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WYOWXFIDFQAYRB-UHFFFAOYSA-N
M.W :	149.19	Pubchem ID :	71748486
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.38
Num. rotatable bonds :	0
Num. H-bond acceptors :	1.0
Num. H-bond donors :	2.0
Molar Refractivity :	51.57
TPSA :	36.95 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.27 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.46
Log Po/w (XLOGP3) :	1.33
Log Po/w (WLOGP) :	0.08
Log Po/w (MLOGP) :	0.61
Log Po/w (SILICOS-IT) :	1.49
Consensus Log Po/w :	1.0

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.01
Solubility :	1.47 mg/ml ; 0.00985 mol/l
Class :	Soluble
Log S (Ali) :	-1.71
Solubility :	2.93 mg/ml ; 0.0196 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-3.05
Solubility :	0.134 mg/ml ; 0.000897 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.18

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

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