3,4-Dihydro-8-methylpyrido[2,3-b]pyrazin-2(1H)-one - CAS 1314934-34-3

Catalog:	BB063132
Product Name:	3,4-Dihydro-8-methylpyrido[2,3-b]pyrazin-2(1H)-one
CAS:	1314934-34-3
Synonyms:	8-methyl-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one; 8-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one; 8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one

Technical Data

IUPAC Name:	8-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one
Description:	3,4-Dihydro-8-methylpyrido[2,3-b]pyrazin-2(1H)-one was used in the study to discover and prepare clinical candidate TAK-915 and related compounds for treatment of cognitive disorders.
Molecular Weight:	163.18
Molecular Formula:	C8H9N3O
Canonical SMILES:	CC1=C2C(=NC=C1)NCC(=O)N2
InChI:	InChI=1S/C8H9N3O/c1-5-2-3-9-8-7(5)11-6(12)4-10-8/h2-3H,4H2,1H3,(H,9,10)(H,11,12)
InChI Key:	QPFWBUBUXAJWEB-UHFFFAOYSA-N
References:	Mikami, S., et al. J., Med. Chem., 60, 7677 (2017).

Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.074561919
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	163.074561919
Rotatable Bond Count:	0
Topological Polar Surface Area:	54Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5