5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
C165H162Cl2F3N29O16 — CID 159550750
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
SMILESC[C@@H]1Cn2nc(COc3ccccc3)cc2C(=O)N1Cc1ncccc1Cl.Cc1ccc(CN2CCn3nc(COc4cc(C)nc(C)c4)cc3C2=O)cc1.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1F.Cc1cccc(CN2C(=O)c3cc(COc4ccccc4)nn3C[C@H]2C)n1.Cc1cccc(CN2CCn3nc(COc4ccc(F)cc4)cc3C2=O)n1.Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1.O=C1c2cc(COc3ccc(F)cc3)nn2CCN1Cc1ncccc1Cl
InChIInChI=1S/C22H24N4O2.C21H20FN3O2.C21H22N4O2.2C21H21N3O2.C20H19ClN4O2.C20H19FN4O2.C19H16ClFN4O2/c1-15-4-6-18(7-5-15)13-25-8-9-26-21(22(25)27)12-19(24-26)14-28-20-10-16(2)23-17(3)11-20;1-15-7-8-16(11-19(15)22)13-24-9-10-25-20(21(24)26)12-17(23-25)14-27-18-5-3-2-4-6-18;1-15-7-6-8-17(22-15)13-24-16(2)12-25-20(21(24)26)11-18(23-25)14-27-19-9-4-3-5-10-19;1-16-6-5-7-17(12-16)14-23-10-11-24-20(21(23)25)13-18(22-24)15-26-19-8-3-2-4-9-19;1-16-7-9-17(10-8-16)14-23-11-12-24-20(21(23)25)13-18(22-24)15-26-19-5-3-2-4-6-19;1-14-11-25-19(10-15(23-25)13-27-16-6-3-2-4-7-16)20(26)24(14)12-18-17(21)8-5-9-22-18;1-14-3-2-4-16(22-14)12-24-9-10-25-19(20(24)26)11-17(23-25)13-27-18-7-5-15(21)6-8-18;20-16-2-1-7-22-17(16)11-24-8-9-25-18(19(24)26)10-14(23-25)12-27-15-5-3-13(21)4-6-15/h4-7,10-12H,8-9,13-14H2,1-3H3;2-8,11-12H,9-10,13-14H2,1H3;3-11,16H,12-14H2,1-2H3;2-9,12-13H,10-11,14-15H2,1H3;2-10,13H,11-12,14-15H2,1H3;2-10,14H,11-13H2,1H3;2-8,11H,9-10,12-13H2,1H3;1-7,10H,8-9,11-12H2/t;;16-;;;14-;;/m..1..1../s1
InChIKeyMFIZGJYEIAALGI-UGKIYJQUSA-N
MW2935.20 g/mol
LogP26.89
Rot. Bonds40
About 5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (PubChem CID 159550750) has the molecular formula C165H162Cl2F3N29O16 and a molecular weight of 2935.20 g/mol. Its IUPAC name is 5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
Molecular Properties
| Compound Name | 5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one |
|---|---|
| PubChem CID | 159550750 |
| Molecular Formula | C165H162Cl2F3N29O16 |
| Molecular Weight | 2935.20 g/mol |
| Exact Mass | 2932.21 |
| IUPAC Name | 5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one |
| SMILES | C[C@@H]1Cn2nc(COc3ccccc3)cc2C(=O)N1Cc1ncccc1Cl.Cc1ccc(CN2CCn3nc(COc4cc(C)nc(C)c4)cc3C2=O)cc1.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1F.Cc1cccc(CN2C(=O)c3cc(COc4ccccc4)nn3C[C@H]2C)n1.Cc1cccc(CN2CCn3nc(COc4ccc(F)cc4)cc3C2=O)n1.Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1.O=C1c2cc(COc3ccc(F)cc3)nn2CCN1Cc1ncccc1Cl |
| InChI | InChI=1S/C22H24N4O2.C21H20FN3O2.C21H22N4O2.2C21H21N3O2.C20H19ClN4O2.C20H19FN4O2.C19H16ClFN4O2/c1-15-4-6-18(7-5-15)13-25-8-9-26-21(22(25)27)12-19(24-26)14-28-20-10-16(2)23-17(3)11-20;1-15-7-8-16(11-19(15)22)13-24-9-10-25-20(21(24)26)12-17(23-25)14-27-18-5-3-2-4-6-18;1-15-7-6-8-17(22-15)13-24-16(2)12-25-20(21(24)26)11-18(23-25)14-27-19-9-4-3-5-10-19;1-16-6-5-7-17(12-16)14-23-10-11-24-20(21(23)25)13-18(22-24)15-26-19-8-3-2-4-9-19;1-16-7-9-17(10-8-16)14-23-11-12-24-20(21(23)25)13-18(22-24)15-26-19-5-3-2-4-6-19;1-14-11-25-19(10-15(23-25)13-27-16-6-3-2-4-7-16)20(26)24(14)12-18-17(21)8-5-9-22-18;1-14-3-2-4-16(22-14)12-24-9-10-25-19(20(24)26)11-17(23-25)13-27-18-7-5-15(21)6-8-18;20-16-2-1-7-22-17(16)11-24-8-9-25-18(19(24)26)10-14(23-25)12-27-15-5-3-13(21)4-6-15/h4-7,10-12H,8-9,13-14H2,1-3H3;2-8,11-12H,9-10,13-14H2,1H3;3-11,16H,12-14H2,1-2H3;2-9,12-13H,10-11,14-15H2,1H3;2-10,13H,11-12,14-15H2,1H3;2-10,14H,11-13H2,1H3;2-8,11H,9-10,12-13H2,1H3;1-7,10H,8-9,11-12H2/t;;16-;;;14-;;/m..1..1../s1 |
| InChIKey | MFIZGJYEIAALGI-UGKIYJQUSA-N |
| XLogP | 26.89 |
| TPSA | 443.33 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 215 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2935.20 |
| LogP ≤ 5 | 26.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 37 |
Frequently Asked Questions
What is the IUPAC name of 5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one (CID 159550750) is 5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is C[C@@H]1Cn2nc(COc3ccccc3)cc2C(=O)N1Cc1ncccc1Cl.Cc1ccc(CN2CCn3nc(COc4cc(C)nc(C)c4)cc3C2=O)cc1.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1.Cc1ccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)cc1F.Cc1cccc(CN2C(=O)c3cc(COc4ccccc4)nn3C[C@H]2C)n1.Cc1cccc(CN2CCn3nc(COc4ccc(F)cc4)cc3C2=O)n1.Cc1cccc(CN2CCn3nc(COc4ccccc4)cc3C2=O)c1.O=C1c2cc(COc3ccc(F)cc3)nn2CCN1Cc1ncccc1Cl.
What is the InChIKey of 5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is MFIZGJYEIAALGI-UGKIYJQUSA-N. The full InChI is InChI=1S/C22H24N4O2.C21H20FN3O2.C21H22N4O2.2C21H21N3O2.C20H19ClN4O2.C20H19FN4O2.C19H16ClFN4O2/c1-15-4-6-18(7-5-15)13-25-8-9-26-21(22(25)27)12-19(24-26)14-28-20-10-16(2)23-17(3)11-20;1-15-7-8-16(11-19(15)22)13-24-9-10-25-20(21(24)26)12-17(23-25)14-27-18-5-3-2-4-6-18;1-15-7-6-8-17(22-15)13-24-16(2)12-25-20(21(24)26)11-18(23-25)14-27-19-9-4-3-5-10-19;1-16-6-5-7-17(12-16)14-23-10-11-24-20(21(23)25)13-18(22-24)15-26-19-8-3-2-4-9-19;1-16-7-9-17(10-8-16)14-23-11-12-24-20(21(23)25)13-18(22-24)15-26-19-5-3-2-4-6-19;1-14-11-25-19(10-15(23-25)13-27-16-6-3-2-4-7-16)20(26)24(14)12-18-17(21)8-5-9-22-18;1-14-3-2-4-16(22-14)12-24-9-10-25-19(20(24)26)11-17(23-25)13-27-18-7-5-15(21)6-8-18;20-16-2-1-7-22-17(16)11-24-8-9-25-18(19(24)26)10-14(23-25)12-27-15-5-3-13(21)4-6-15/h4-7,10-12H,8-9,13-14H2,1-3H3;2-8,11-12H,9-10,13-14H2,1H3;3-11,16H,12-14H2,1-2H3;2-9,12-13H,10-11,14-15H2,1H3;2-10,13H,11-12,14-15H2,1H3;2-10,14H,11-13H2,1H3;2-8,11H,9-10,12-13H2,1H3;1-7,10H,8-9,11-12H2/t;;16-;;;14-;;/m..1..1../s1.
What are the key properties of 5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one?
5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 2935.20 g/mol, XLogP of 26.89, 40 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-2-pyridinyl)methyl]-2-[(4-fluorophenoxy)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-5-[(3-chloro-2-pyridinyl)methyl]-6-methyl-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(2,6-dimethyl-4-pyridinyl)oxymethyl]-5-[(4-methylphenyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-fluoro-4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;2-[(4-fluorophenoxy)methyl]-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;(6R)-6-methyl-5-[(6-methyl-2-pyridinyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(3-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one;5-[(4-methylphenyl)methyl]-2-(phenoxymethyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 159550750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159550750 — identifiers, structure, computed properties (public domain)
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