tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate - CAS 577768-59-3

Name: tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB029816
Product Name:	tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate
CAS:	577768-59-3
Synonyms:	tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate
Description:	tert-Butyl 4-(1H-pyrrolo[2,3-b]pyridin-4-yl)piperazine-1-carboxylate (CAS# 577768-59-3) is a useful research chemical.
Molecular Weight:	302.37
Molecular Formula:	C16H22N4O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C=CNC3=NC=C2
InChI:	InChI=1S/C16H22N4O2/c1-16(2,3)22-15(21)20-10-8-19(9-11-20)13-5-7-18-14-12(13)4-6-17-14/h4-7H,8-11H2,1-3H3,(H,17,18)
InChI Key:	SETNUDBXVJYSGE-UHFFFAOYSA-N
Purity:	95 %
Density:	1.231 g/cm³
LogP:	2.62290

Publication Number	Title	Priority Date
WO-2019079649-A1	SUBSTITUTED PYRROLOPYRIDINES AS INHIBITORS OF ACTIVIN RECEPTOR-RELATED KINASE	20171018
CN-111566102-A	Substituted pyrrolopyridines as activin receptor-like kinase inhibitors	20171018
EP-3697786-A1	Substituted pyrrolopyridines as inhibitors of activin receptor-like kinase	20171018
US-2020331908-A1	Substituted pyrrolopyridines as inhibitors of activin receptor-like kinase	20171018
JP-2021500337-A	Substituted pyrolopyridine as an inhibitor of activin receptor-like kinase	20171018

Complexity:	401
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	302.17427596
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	302.17427596
Rotatable Bond Count:	3
Topological Polar Surface Area:	61.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1