{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
Chemical Structure Depiction of
{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
{3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
Compound characteristics
Compound ID: | S625-0088 |
Compound Name: | {3-[(2S,4R)-4-hydroxy-1-methylpyrrolidin-2-yl]-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone |
Molecular Weight: | 423.47 |
Molecular Formula: | C21 H25 N7 O3 |
Smiles: | CN1C[C@@H](C[C@H]1c1nnc2CN(CCn12)C(c1cc(c2ccc(cc2)OC)n[nH]1)=O)O |
Stereo: | ABSOLUTE |
logP: | 0.5088 |
logD: | 0.4621 |
logSw: | -2.1328 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 90.955 |
InChI Key: | CFDKBBVETUWPIU-KSSFIOAISA-N |