7-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
Chemical Structure Depiction of
7-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
7-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one
Compound characteristics
| Compound ID: | S022-1799 |
| Compound Name: | 7-{1-[(4-fluorophenyl)methyl]-2,5-dimethyl-1H-pyrrole-3-carbonyl}-2-(4-methoxyphenyl)-5,6,7,8-tetrahydropyrazolo[1,5-a]pyrido[4,3-d]pyrimidin-9(1H)-one |
| Molecular Weight: | 525.58 |
| Molecular Formula: | C30 H28 F N5 O3 |
| Smiles: | Cc1cc(C(N2CCC3=C(C2)C(N2C(C=C(c4ccc(cc4)OC)N2)=N3)=O)=O)c(C)n1Cc1ccc(cc1)F |
| Stereo: | ACHIRAL |
| logP: | 3.4161 |
| logD: | 3.416 |
| logSw: | -3.7156 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.259 |
| InChI Key: | OTHXBSZUTDQMJD-UHFFFAOYSA-N |