2-Azido-1-(3-chloro-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)ethan-1-one - CAS 2097997-88-9

Catalog:	BB061225
Product Name:	2-Azido-1-(3-chloro-5,6-dihydroimidazo[1,2-a]pyrazin-7(8h)-yl)ethan-1-one
CAS:	2097997-88-9
Synonyms:	2-azido-1-(3-chloro-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)ethan-1-one; 2-azido-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone

Technical Data

IUPAC Name:	2-azido-1-(3-chloro-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
Description:	2-Azido-1-(3-chloro-5,6-dihydroimidazo[1,2-a]pyrazin-7(8H)-yl)ethan-1-one (CAS# 2097997-88-9) is a derivative of 3- Chloro- 5, 6- dihydro- imidazo[1, 2- a] pyrazine- 7(8H) - carboxylic Acid 1, 1-Dimethylethyl Ester (CAS# 1253801-37-4), which is a useful compound for preparing P2X7 modulators.
Molecular Weight:	240.65
Molecular Formula:	C8H9ClN6O
Canonical SMILES:	C1CN2C(=NC=C2Cl)CN1C(=O)CN=[N+]=[N-]
InChI:	InChI=1S/C8H9ClN6O/c9-6-3-11-7-5-14(1-2-15(6)7)8(16)4-12-13-10/h3H,1-2,4-5H2
InChI Key:	ZPGTURBNQTZVJW-UHFFFAOYSA-N
Melting Point:	108 - 109°C
Solubility:	Dichloromethane (Sparingly), DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Pale Yellow Solid
Storage:	-20°C, Inert atmosphere
References:	Dean, D. K., et al. U.S. (2013), US 8513248 B2.

Complexity:	331
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.0526366
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	240.0526366
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1