2-(2-chlorophenyl)-6-(3',5'-dimethyl-1'-propyl-1H,1'H-[3,4'-bipyrazole]-5-carbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Chemical Structure Depiction of
2-(2-chlorophenyl)-6-(3',5'-dimethyl-1'-propyl-1H,1'H-[3,4'-bipyrazole]-5-carbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
2-(2-chlorophenyl)-6-(3',5'-dimethyl-1'-propyl-1H,1'H-[3,4'-bipyrazole]-5-carbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S021-2211 |
| Compound Name: | 2-(2-chlorophenyl)-6-(3',5'-dimethyl-1'-propyl-1H,1'H-[3,4'-bipyrazole]-5-carbonyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[3,4-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 531.02 |
| Molecular Formula: | C27 H27 Cl N8 O2 |
| Smiles: | CCCn1c(C)c(c2cc(C(N3CCC4=C(C3)N=C3C=C(c5ccccc5[Cl])NN3C4=O)=O)[nH]n2)c(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.7491 |
| logD: | 2.7481 |
| logSw: | -3.8685 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.815 |
| InChI Key: | RDCFKPKFFXBTRI-UHFFFAOYSA-N |