N-Boc-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine - CAS 1841079-87-5

Name: N-Boc-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB014117
Product Name:	N-Boc-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine
CAS:	1841079-87-5
Synonyms:	N-[3-(1-pyrrolo[2,3-c]pyridinyl)-5-isoquinolinyl]carbamic acid tert-butyl ester; tert-butyl N-(3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-yl)carbamate

Technical Data

IUPAC Name:	tert-butyl N-(3-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-5-yl)carbamate
Description:	N-Boc-3-(1H-pyrrolo[2,3-c]pyridin-1-yl)isoquinolin-5-amine (CAS# 1841079-87-5 ) is a useful research chemical.
Molecular Weight:	360.41
Molecular Formula:	C21H20N4O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=CC=CC2=CN=C(C=C21)N3C=CC4=C3C=NC=C4
InChI:	InChI=1S/C21H20N4O2/c1-21(2,3)27-20(26)24-17-6-4-5-15-12-23-19(11-16(15)17)25-10-8-14-7-9-22-13-18(14)25/h4-13H,1-3H3,(H,24,26)
InChI Key:	AVEOOGFFDUOPCT-UHFFFAOYSA-N
LogP:	4.99370

Publication Number	Title	Priority Date
AU-2015274843-A1	Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles	20140613
AU-2015274843-B2	Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles	20140613
CA-2948528-A1	Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles	20140613
EP-3154970-A2	Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles	20140613
EP-3154970-B1	Pyrrolo[2,3-c]pyridines as imaging agents for neurofibrilary tangles	20140613

Complexity:	535
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	360.15862589
Formal Charge:	0
Heavy Atom Count:	27
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	360.15862589
Rotatable Bond Count:	4
Topological Polar Surface Area:	69
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7