2-(Pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine - CAS 1250443-30-1

Catalog:	BB058398
Product Name:	2-(Pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
CAS:	1250443-30-1
Synonyms:	4,5,6,7-Tetrahydro-2-(4-pyridinyl)pyrazolo[1,5-a]pyrazine

Technical Data

IUPAC Name:	2-pyridin-4-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
Description:	2-(Pyridin-4-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is used in the preparation/biological evaluation of 4, 5, 6, 7- tetrahydropyrazolopyrazines as a potential metabotropic glutamate receptor 5 negative allosteric modulator.
Molecular Weight:	200.24
Molecular Formula:	C11H12N4
Canonical SMILES:	C1CN2C(=CC(=N2)C3=CC=NC=C3)CN1
InChI:	InChI=1S/C11H12N4/c1-3-12-4-2-9(1)11-7-10-8-13-5-6-15(10)14-11/h1-4,7,13H,5-6,8H2
InChI Key:	PGHMPLBBGGZQGM-UHFFFAOYSA-N
References:	Hirose, W., et al. Bioorg. Med. Chem. Lett., 26, 3866 (2016).

Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.1061964
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	200.1061964
Rotatable Bond Count:	1
Topological Polar Surface Area:	42.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.1