4-Chloro-3-iodo-1H-pyrazolo[4,3-c]pyridine

Introduction

CAS No. :	1186647-69-7	MDL No. :	MFCD16877655
Formula :	C6H3ClIN3	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	PBVPGWHQJRFJQU-UHFFFAOYSA-N
M.W :	279.47	Pubchem ID :	53249936
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	9
Fraction Csp3 :	0.0
Num. rotatable bonds :	0
Num. H-bond acceptors :	2.0
Num. H-bond donors :	1.0
Molar Refractivity :	51.62
TPSA :	41.57 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.49 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.11
Log Po/w (XLOGP3) :	2.13
Log Po/w (WLOGP) :	2.22
Log Po/w (MLOGP) :	1.7
Log Po/w (SILICOS-IT) :	3.18
Consensus Log Po/w :	2.07

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.52
Solubility :	0.0844 mg/ml ; 0.000302 mol/l
Class :	Soluble
Log S (Ali) :	-2.63
Solubility :	0.648 mg/ml ; 0.00232 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-4.1
Solubility :	0.0221 mg/ml ; 0.0000791 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	0.0
Synthetic accessibility :	2.09

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P301+P310-P305+P351+P338	UN#:	2811
Hazard Statements:	H301-H319	Packing Group:	Ⅲ
GHS Pictogram:

Related View all 

• 

  Ghk-Cu

• 

  Gly-His-Lys acetate salt

• 

  N-Phenylacetyl-L-Prolylglycine ethyl ester

• 

  L-Phenylalanyl-L-isoleucine

• 

  L-Isoleucyl-L-phenylalanine

• 

  L-Ala-L-phe

• 

  L-Glutathione Reduced

• 

  L-Alanyl-L-tyrosine