1-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]-2-(thiophen-3-yl)ethan-1-one
1-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
Compound ID: | SB71-0439 |
Compound Name: | 1-[2-(3,4-dihydroisoquinoline-2(1H)-carbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl]-2-(thiophen-3-yl)ethan-1-one |
Molecular Weight: | 406.51 |
Molecular Formula: | C22 H22 N4 O2 S |
Smiles: | C1CN(Cc2ccccc12)C(c1cc2CN(CCn2n1)C(Cc1ccsc1)=O)=O |
Stereo: | ACHIRAL |
logP: | 2.51 |
logD: | 2.51 |
logSw: | -2.7073 |
Hydrogen bond acceptors count: | 5 |
Polar surface area: | 47.159 |
InChI Key: | WKUCGVWEEQQJAE-UHFFFAOYSA-N |