3,4-Dihydro-6-methylpyrido[2,3-b]pyrazin-2(1H)-one - CAS 1314976-52-7
Catalog: |
BB063131 |
Product Name: |
3,4-Dihydro-6-methylpyrido[2,3-b]pyrazin-2(1H)-one |
CAS: |
1314976-52-7 |
Synonyms: |
6-methyl-1H,2H,3H,4H-pyrido[2,3-b]pyrazin-2-one; 6-methyl-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one; 6-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one |
IUPAC Name: | 6-methyl-3,4-dihydro-1H-pyrido[2,3-b]pyrazin-2-one |
Description: | 3,4-Dihydro-6-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=NC2=C(C=C1)NC(=O)CN2 |
InChI: | InChI=1S/C8H9N3O/c1-5-2-3-6-8(10-5)9-4-7(12)11-6/h2-3H,4H2,1H3,(H,9,10)(H,11,12) |
InChI Key: | UKTYMXRERGTZAV-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: | 54Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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