1-(4-Piperidyl)imidazo[4,5-b]pyridin-2(3H)-one - CAS 185961-99-3

Name: 1-(4-Piperidyl)imidazo[4,5-b]pyridin-2(3H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014262
Product Name:	1-(4-Piperidyl)imidazo[4,5-b]pyridin-2(3H)-one
CAS:	185961-99-3
Synonyms:	1-(4-piperidinyl)-3H-imidazo[4,5-b]pyridin-2-one; 1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one

Technical Data

IUPAC Name:	1-piperidin-4-yl-3H-imidazo[4,5-b]pyridin-2-one
Description:	1-(4-Piperidyl)imidazo[4,5-b]pyridin-2(3H)-one (CAS# 185961-99-3) is an intermediate used to prepare (3R,6S)-3-amino-6-(2,3-difluorophenyl)azepan-2-one of Telcagepant (MK-0974) for use as a calcitonin gene-related peptide receptor antagonist treating migraine headaches.
Molecular Weight:	218.26
Molecular Formula:	C11H14N4O
Canonical SMILES:	C1CNCCC1N2C3=C(NC2=O)N=CC=C3
InChI:	InChI=1S/C11H14N4O/c16-11-14-10-9(2-1-5-13-10)15(11)8-3-6-12-7-4-8/h1-2,5,8,12H,3-4,6-7H2,(H,13,14,16)
InChI Key:	NNTFPLKBXGDCPG-UHFFFAOYSA-N
Density:	1.272 g/cm³
LogP:	1.39020

Publication Number	Title	Priority Date
WO-2020240492-A1	1,3,4-oxadiazole derivative compounds as histone deacetylase 6 inhibitor, and the pharmaceutical composition comprising the same	20190531
WO-2020216378-A1	Heterocyclic compound, application thereof, and composition containing same	20190426
WO-2018178938-A1	Cgrp receptor antagonists	20170331
EP-3368525-B1	Cgrp receptor antagonists	20151030
EP-3368536-B1	Cgrp receptor antagonists	20151030

Complexity:	277
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.11676108
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	218.11676108
Rotatable Bond Count:	1
Topological Polar Surface Area:	57.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1