2-(3-(2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-6-yl)phenyl)propan-2-ol

Introduction

CAS No. :	1015231-98-7	MDL No. :	MFCD31555261
Formula :	C22H19ClN2O	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YQUSXNRKHZXSGH-UHFFFAOYSA-N
M.W :	362.85	Pubchem ID :	24759785
Synonyms :		Chemical Name :	2-(3-(2-(4-Chlorophenyl)imidazo[1,2-a]pyridin-6-yl)phenyl)propan-2-ol

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	21
Fraction Csp3 :	0.14
Num. rotatable bonds :	3
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	106.7
TPSA :	37.53 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	Yes
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.69 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.83
Log Po/w (XLOGP3) :	5.38
Log Po/w (WLOGP) :	5.44
Log Po/w (MLOGP) :	3.81
Log Po/w (SILICOS-IT) :	4.93
Consensus Log Po/w :	4.68

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.88
Solubility :	0.00048 mg/ml ; 0.00000132 mol/l
Class :	Moderately soluble
Log S (Ali) :	-5.92
Solubility :	0.000434 mg/ml ; 0.0000012 mol/l
Class :	Moderately soluble
Log S (SILICOS-IT) :	-7.93
Solubility :	0.00000421 mg/ml ; 0.0000000116 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.86

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P280-P301+P312-P302+P352-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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