5-Aminoimidazo[1,2-a]pyridine-3-carbaldehyde

Introduction

CAS No. :	35220-26-9	MDL No. :	MFCD20706229
Formula :	C8H7N3O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	DBLBOJCLFBZXDP-UHFFFAOYSA-N
M.W :	161.16	Pubchem ID :	294351
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	44.98
TPSA :	60.39 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.42 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.91
Log Po/w (XLOGP3) :	1.21
Log Po/w (WLOGP) :	0.74
Log Po/w (MLOGP) :	-0.09
Log Po/w (SILICOS-IT) :	0.34
Consensus Log Po/w :	0.62

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.09
Solubility :	1.31 mg/ml ; 0.00812 mol/l
Class :	Soluble
Log S (Ali) :	-2.08
Solubility :	1.36 mg/ml ; 0.00841 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.66
Solubility :	3.49 mg/ml ; 0.0217 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.66

Signal Word:	Warning	Class:
Precautionary Statements:	P280-P305+P351+P338	UN#:
Hazard Statements:	H302	Packing Group:
GHS Pictogram:

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