7-Chloro-3-(4-methoxybenzyl)-3H-imidazo[4,5-b]pyridine

Catalog:	BB062477
Product Name:	7-Chloro-3-(4-methoxybenzyl)-3H-imidazo[4,5-b]pyridine
Synonyms:	7-chloro-3-(4-methoxybenzyl)-3H-imidazo[4,5-b]pyridine

Technical Data

IUPAC Name:	7-chloro-3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
Description:	7-Chloro-3-(4-methoxybenzyl)-3H-imidazo[4,5-b]pyridine is an intermediate in the synthesis of a group of highly selective inhibitor of cytochrome P450 3A4, which is one of the most important enzymes involved in the metabolism of pharmaceuticals and xenobiotics.
Molecular Weight:	273.72
Molecular Formula:	C14H12ClN3O
Canonical SMILES:	COC1=CC=C(C=C1)CN2C=NC3=C(C=CN=C32)Cl
InChI:	InChI=1S/C14H12ClN3O/c1-19-11-4-2-10(3-5-11)8-18-9-17-13-12(15)6-7-16-14(13)18/h2-7,9H,8H2,1H3
InChI Key:	GPVCIOHFLJXHHS-UHFFFAOYSA-N
Solubility:	Chloroform, DCM
Appearance:	Light Brown Solid
Storage:	Refrigerator, under inert atmosphere

Complexity:	296
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.0668897
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	273.0668897
Rotatable Bond Count:	3
Topological Polar Surface Area:	39.9Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9